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Home > Nitro Compounds > 99971-02-5
99971-02-5 | 2-(5-nitrofuran-2-amido)benzoic acid
CAS No: 99971-02-5 Catalog No: AG019P49 MDL No:MFCD01434388
Product Description
Catalog Number:
AG019P49
Chemical Name:
2-(5-nitrofuran-2-amido)benzoic acid
CAS Number:
99971-02-5
Molecular Formula:
C12H8N2O6
Molecular Weight:
276.2017
MDL Number:
MFCD01434388
IUPAC Name:
2-[(5-nitrofuran-2-carbonyl)amino]benzoic acid
InChI:
InChI=1S/C12H8N2O6/c15-11(9-5-6-10(20-9)14(18)19)13-8-4-2-1-3-7(8)12(16)17/h1-6H,(H,13,15)(H,16,17)
InChI Key:
YOVABYPJWOIWLM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(o1)[N+](=O)[O-])Nc1ccccc1C(=O)O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.038g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.204g/mol
Monoisotopic Mass:
276.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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