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Home > Nitro Compounds > 35799-28-1
35799-28-1 | N-(3-nitrophenyl)pyrrolidine-1-carboxamide
CAS No: 35799-28-1 Catalog No: AG00JH4V MDL No:MFCD06183667
Product Description
Catalog Number:
AG00JH4V
Chemical Name:
N-(3-nitrophenyl)pyrrolidine-1-carboxamide
CAS Number:
35799-28-1
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
MDL Number:
MFCD06183667
IUPAC Name:
N-(3-nitrophenyl)pyrrolidine-1-carboxamide
InChI:
InChI=1S/C11H13N3O3/c15-11(13-6-1-2-7-13)12-9-4-3-5-10(8-9)14(16)17/h3-5,8H,1-2,6-7H2,(H,12,15)
InChI Key:
IWWQPBHGXPDITK-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)Nc1cccc(c1)[N+](=O)[O-]
NSC Number:
512796
Properties
Complexity:
297
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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