Home Bromides 101420-81-9
101420-81-9,MFCD04117949
Catalog No.:AA0004E9
101420-81-9 | 3-Bromo-4-nitrobenzoic acid
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1g
95%
in stock  
$103.00   $72.00
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5g
95%
in stock  
$349.00   $245.00
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25g
95%
in stock  
$1,064.00   $745.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0004E9
Chemical Name:
3-Bromo-4-nitrobenzoic acid
CAS Number:
101420-81-9
Molecular Formula:
C7H4BrNO4
Molecular Weight:
246.0150
MDL Number:
MFCD04117949
IUPAC Name:
3-bromo-4-nitrobenzoic acid
InChI:
InChI=1S/C7H4BrNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
InChI Key:
KKPPNEJUUOQRLE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Br)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.932g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.016g/mol
Monoisotopic Mass:
244.932g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
3-Bromo-4-nitrobenzoic acid 
101420-81-9 
3-bromo-4-nitro-benzoic acid 
SCHEMBL2722394 
CTK3J9780 
KS-00000JYA 
DTXSID10584745 
KKPPNEJUUOQRLE-UHFFFAOYSA-N 
ACT07918 
ZINC2529198 
3-Bromo-4-nitrobenzoic acid, 97% 
ANW-47160 
3-Bromo-4-nitrobenzoicacid 
CL8896 
SBB063812 
AKOS007930294 
AM84175 
CB-1766 
CS-W005429 
RP28723 
VZ26452 
3-BROMO-4-NITROBENZOIC ACID 97 
AJ-38405 
Benzoic acid, 3-bromo-4-nitro- 
AK-25248 
AN-34221 
BC004094 
BR-25248 
DS-10690 
AB0033971 
DB-011145 
RT-019589 
ST2417536 
4CH-012713 
Benzoic acid,3-bromo-4-nitro- 
B4786 
FT-0647530 
X8050 
A19526 
S-2297 
420B819 
I01-2990 
J-511943 
C7H4BrNO4 
ACN-050254 
MFCD04117949 
3-Bromo-4-Nitrobenzoic Acid 97 
PubChem16301 
ACMC-209x3e 
4-nitro-3-bromobenzoic acid 
Literature
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