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Home > Nitro Compounds > 1423117-55-8
1423117-55-8 | 2-methyl-4-nitro-N-(pyrrolidin-3-yl)benzamide
CAS No: 1423117-55-8 Catalog No: AG01AEKO MDL No:MFCD17472920
Product Description
Catalog Number:
AG01AEKO
Chemical Name:
2-methyl-4-nitro-N-(pyrrolidin-3-yl)benzamide
CAS Number:
1423117-55-8
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
MDL Number:
MFCD17472920
IUPAC Name:
2-methyl-4-nitro-N-pyrrolidin-3-ylbenzamide
InChI:
InChI=1S/C12H15N3O3/c1-8-6-10(15(17)18)2-3-11(8)12(16)14-9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3,(H,14,16)
InChI Key:
ZFKHBWMHJWGKBZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1C)[N+](=O)[O-])NC1CNCC1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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