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2-amino-3-nitrobenzamide

2-amino-3-nitrobenzamide

CAS: 313279-12-8

Formula: C7H7N3O3

SMILES: NC(=O)C1=C(N)C(=CC=C1)[N+]([O-])=O

IUPAC: 2-amino-3-nitrobenzamide

InChI: InChI=1S/C7H7N3O3/c8-6-4(7(9)11)2-1-3-5(6)10(12)13/h1-3H,8H2,(H2,9,11)

Composition: C (46.41%), H (3.90%), N (23.20%), O (26.50%)

Molar Mass: 181.151

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 181.048741097
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey RMLPQVFYXZMJES-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.16
Topological Polar Surface Area 112.25
Polarizability 16.29
Ring Count 1
Rotatable Bond Count 2

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