Home Nitro Compounds 13506-76-8
13506-76-8,MFCD00007267
Catalog No.:AA003HLA
13506-76-8 | 2-Methyl-6-nitrobenzoic acid
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1g
98%
in stock  
$11.00
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5g
98%
in stock  
$25.00
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10g
98%
in stock  
$36.00
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25g
≥98%
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$83.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HLA
Chemical Name:
2-Methyl-6-nitrobenzoic acid
CAS Number:
13506-76-8
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00007267
IUPAC Name:
2-methyl-6-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO4/c1-5-3-2-4-6(9(12)13)7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
CCXSGQZMYLXTOI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C(=O)O)C
EC Number:
236-833-3
UNII:
JM85Y56DX1
UN Number:
2811
Properties
Computed Properties
 
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
2-METHYL-6-NITROBENZOIC ACID 
13506-76-8 
MLS002152875 
1975-52-6 
513506-76-8 
JM85Y56DX1 
CCXSGQZMYLXTOI-UHFFFAOYSA-N 
MFCD00007267 
SMR001224490 
2-Methyl-6-nitrobenzoic acid, 99% 
Nitrotoluylsaure 
NCGC00091581-01 
nitro-ortho-toluic acid 
PubChem14045 
6-Nitro-o-toluic acid 
ACMC-1AYOE 
AC1Q2DJL 
2-Carboxy-3-nitrotoluene 
DSSTox_CID_5639 
AC1Q2N9D 
DSSTox_RID_77864 
DSSTox_GSID_25639 
SCHEMBL33666 
cid_16097 
KSC494O0F 
Benzoic acid, 2-methyl-6-nitro- 
2-Nitro-6-methylbenzoic acid 
2-Methyl-6-nitrobenzonic acid 
AC1L279F 
Jsp002133 
CHEMBL1300395 
DTXSID7025639 
BDBM74245 
CTK3J4702 
KS-00000CDP 
HMS3039A14 
6-Methyl-2-nitrobenzoic acid 
ZINC157093 
ACT05409 
Tox21_200201 
ANW-19742 
BBL103670 
CL8056 
FC1087 
LS-789 
SBB028499 
STL557480 
2-methyl-6-nitro-benzoic acid 
2-Methyl-6-nitrobenzoic acid, 97% 
AKOS001309987 
AC-3082 
AS07059 
CS-W007508 
GS-4418 
MCULE-1416023209 
RP24213 
RP24217 
RTR-004744 
o-Toluic acid, 6-nitro- 
TRA0034905 
VF10336 
NCGC00091581-02 
NCGC00257755-01 
AJ-14881 
AK-45423 
AN-13327 
BR-45423 
SC-22890 
SY003788 
2-methyl-6-nitrobenzoicacid 
AB0034010 
CAS-13506-76-8 
DB-011077 
ST2417081 
TR-004744 
4CH-003198 
A2886 
AM20060849 
FT-0081483 
FT-0612995 
UNII-JM85Y56DX1 
M1002 
ST50406588 
X8091 
EN300-24070 
MFCD00007267 (98%) 
S-1418 
I01-1108 
J-510027 
InChI=1/C8H7NO4/c1-5-3-2-4-6(9(12)13)7(5)8(10)11/h2-4H,1H3,(H,10,11 
2-Methyl-5-nitrobenzoicacid 
EINECS 236-833-3 
GenBank BX315092 
C8H7NO4 
2-METHYL-5-NITROBENZOIC ACID 
C8-H7-N-O4 
CID16097 
ACN-048092 
A4326 
C2135 
2-Methyl-6-nitrobenzoic acid, 98% - 1G 1g 
3-(Phenylsulfonyl)propan-1-amine hydrochloride 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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