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Home > Nitro Compounds > 917909-54-7
917909-54-7 | Benzamide, 4-nitro-3-(1-pyrrolidinyl)-
CAS No: 917909-54-7 Catalog No: AG006N3C MDL No:
Product Description
Catalog Number:
AG006N3C
Chemical Name:
Benzamide, 4-nitro-3-(1-pyrrolidinyl)-
CAS Number:
917909-54-7
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
IUPAC Name:
4-nitro-3-pyrrolidin-1-ylbenzamide
InChI:
InChI=1S/C11H13N3O3/c12-11(15)8-3-4-9(14(16)17)10(7-8)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H2,12,15)
InChI Key:
NKHJYBLKEKQABA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1N1CCCC1)C(=O)N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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