Home Nitro Compounds 552-16-9
552-16-9,MFCD00007137
Catalog No.:AA003HPO
552-16-9 | 2-Nitrobenzoic acid
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Technical Information
Catalog Number:
AA003HPO
Chemical Name:
2-Nitrobenzoic acid
CAS Number:
552-16-9
Molecular Formula:
C7H5NO4
Molecular Weight:
167.1189
MDL Number:
MFCD00007137
IUPAC Name:
2-nitrobenzoic acid
InChI:
InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChI Key:
SLAMLWHELXOEJZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C(=O)O
EC Number:
209-004-9
UNII:
S6S4653K7Z
NSC Number:
9576
Properties
Computed Properties
 
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.022g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.12g/mol
Monoisotopic Mass:
167.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
2-NITROBENZOIC ACID 
552-16-9 
2-nitro benzoic acid 
o-Nitrobenzoate 
2-Nitrobenzoate 
2-Naphthoic acid 
2-Nitrophenylacetic acid 
Benzoic acid, nitro- 
Acide o-nitrobenzoique 
Acide nitro-o-benzoique 
C7H5NO4 
Nitrobenzoic acid (o,m, and p) 
C7-H5-N-O4 
ortho-nitrobenzoic acid 
CID11087 
2-Nitrobenzoic acid, 98% - 100G 100g 
3740-52-1 
27178-83-2 
NSC 9576 
EINECS 209-004-9 
MFCD00007137 
2-Nitrobenzoic acid, 95% 
UNII-S6S4653K7Z 
AI3-08821 
CHEBI:25620 
SLAMLWHELXOEJZ-UHFFFAOYSA-N 
o-Nitrobenzoic acid 
S6S4653K7Z 
nitro benzoic acid 
2-nitro-benzoicaci 
6-nitro-benzoic acid 
PubChem22385 
ACMC-1ASVT 
DSSTox_CID_5738 
AC1L1WL8 
DSSTox_RID_77900 
DSSTox_GSID_25738 
Benzoic acid, 2-nitro- 
Oprea1_474365 
SCHEMBL78205 
KSC192O8B 
CHEMBL114719 
DTXSID5025738 
SCHEMBL17461588 
CTK0J2780 
KS-00000CHO 
ZINC80841 
NSC9576 
2-nitrobenzoicacid 
AC1Q7239 
NSC-9576 
Tox21_201020 
AC-652 
ANW-32262 
BBL019769 
SBB058380 
STL168882 
AKOS000119255 
AM87062 
o-Carboxynitrobenzene 
AS04600 
CS-W020072 
LS-1360 
MCULE-3357987129 
MP-2162 
RP22974 
RTR-019471 
TRA0020042 
NCGC00091364-01 
NCGC00091364-02 
Benzoic acid, o-nitro- 
NCGC00258573-01 
AJ-10527 
AK-49895 
AN-23662 
AS-11055 
BC200685 
BR-49895 
CAS-552-16-9 
SC-18492 
SY005662 
Nitrobenzoic acid 
AB1002856 
DB-024127 
ST2410184 
TR-019471 
FT-0082641 
FT-0650584 
N0155 
ST50186531 
52N169 
BENZOIC ACID,2-NITRO MFC7 H5 N1 O4 
2-nitro-benzoic acid 
C16234 
2-Nitrobenzoic acid, purum, >=97.0% (HPLC) 
2-Nitrobenzoic acid, technical, >=85% (HPLC) 
31520-EP2270010A1 
31520-EP2308858A1 
31520-EP2311816A1 
31520-EP2311817A1 
92692-EP2277869A1 
92692-EP2277870A1 
92692-EP2305649A1 
CCRIS 2334 
MFCD00007137 (97+%) 
AB-131/40245354 
2-Nitrobenzoic acid, Vetec(TM) reagent grade, 94% 
I14-6161 
Q-200311 
Z57160141 
2-Nitrobenzoic acid, 95%, Contains 3- and 4-isomers 
F3096-1719 
InChI=1/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10 
null 
Literature

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