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Home > Nitro Compounds > 175653-46-0
175653-46-0 | 2-Nitro-N-pyridin-3-ylbenzamide
CAS No: 175653-46-0 Catalog No: AG00HZOG MDL No:MFCD00993524
Product Description
Catalog Number:
AG00HZOG
Chemical Name:
2-Nitro-N-pyridin-3-ylbenzamide
CAS Number:
175653-46-0
Molecular Formula:
C12H9N3O3
Molecular Weight:
243.2182
MDL Number:
MFCD00993524
IUPAC Name:
2-nitro-N-pyridin-3-ylbenzamide
InChI:
InChI=1S/C12H9N3O3/c16-12(14-9-4-3-7-13-8-9)10-5-1-2-6-11(10)15(17)18/h1-8H,(H,14,16)
InChI Key:
PTYIYRPPHKUIQT-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])Nc1cccnc1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.222g/mol
Monoisotopic Mass:
243.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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