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Home > Nitro Compounds > 87594-59-0
87594-59-0 | 4-Carbamoyl-3-nitrobenzoic acid
CAS No: 87594-59-0 Catalog No: AG003KR7 MDL No:MFCD04039778
Product Description
Catalog Number:
AG003KR7
Chemical Name:
4-Carbamoyl-3-nitrobenzoic acid
CAS Number:
87594-59-0
Molecular Formula:
C8H6N2O5
Molecular Weight:
210.1436
MDL Number:
MFCD04039778
IUPAC Name:
4-carbamoyl-3-nitrobenzoic acid
InChI:
InChI=1S/C8H6N2O5/c9-7(11)5-2-1-4(8(12)13)3-6(5)10(14)15/h1-3H,(H2,9,11)(H,12,13)
InChI Key:
LKPGLAHLFCDSNK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)[N+](=O)[O-])C(=O)N
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.145g/mol
Monoisotopic Mass:
210.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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