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1261551-25-0 | Benzamide, 3-amino-2-nitro-
CAS No: 1261551-25-0 Catalog No: AG000RUB MDL No:MFCD18389901
Product Description
Catalog Number:
AG000RUB
Chemical Name:
Benzamide, 3-amino-2-nitro-
CAS Number:
1261551-25-0
Molecular Formula:
C7H7N3O3
Molecular Weight:
181.1488
MDL Number:
MFCD18389901
IUPAC Name:
3-amino-2-nitrobenzamide
InChI:
InChI=1S/C7H7N3O3/c8-5-3-1-2-4(7(9)11)6(5)10(12)13/h1-3H,8H2,(H2,9,11)
InChI Key:
ZZVNNSHHCKFZRG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)cccc1C(=O)N
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.151g/mol
Monoisotopic Mass:
181.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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