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Home > Nitro Compounds > 900189-04-0
900189-04-0 | 1-(4-nitrobenzoyl)pyrazolidine
CAS No: 900189-04-0 Catalog No: AG00IT4C MDL No:MFCD13193115
Product Description
Catalog Number:
AG00IT4C
Chemical Name:
1-(4-nitrobenzoyl)pyrazolidine
CAS Number:
900189-04-0
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
MDL Number:
MFCD13193115
IUPAC Name:
(4-nitrophenyl)-pyrazolidin-1-ylmethanone
InChI:
InChI=1S/C10H11N3O3/c14-10(12-7-1-6-11-12)8-2-4-9(5-3-8)13(15)16/h2-5,11H,1,6-7H2
InChI Key:
VVXFHCNNSTZXHT-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCCN1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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