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606-18-8 | 2-Amino-3-nitrobenzoic acid
CAS No: 606-18-8 Catalog No: AG003332 MDL No:MFCD00024261
Product Description
Catalog Number:
AG003332
Chemical Name:
2-Amino-3-nitrobenzoic acid
CAS Number:
606-18-8
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
MDL Number:
MFCD00024261
IUPAC Name:
2-amino-3-nitrobenzoic acid
InChI:
InChI=1S/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11)
InChI Key:
JJPIVRWTAGQTPQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1N)N(=O)=O
NSC Number:
1162
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.135g/mol
Monoisotopic Mass:
182.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| 2-Amino-3-nitro-benzoic acid. | Acta crystallographica. Section E, Structure reports online 20120201 |
| (2-Amino-3-nitro-benzoato-κO)triphenyl-tin(IV). | Acta crystallographica. Section E, Structure reports online 20110501 |
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