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Home > Nitro Compounds > 68414-86-8
68414-86-8 | 1-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
CAS No: 68414-86-8 Catalog No: AG00JH10 MDL No:MFCD00451740
Product Description
Catalog Number:
AG00JH10
Chemical Name:
1-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
CAS Number:
68414-86-8
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD00451740
IUPAC Name:
1-(4-nitrophenyl)-2H-pyrrol-5-one
InChI:
InChI=1S/C10H8N2O3/c13-10-2-1-7-11(10)8-3-5-9(6-4-8)12(14)15/h1-6H,7H2
InChI Key:
HJXDJONTGXWGBH-UHFFFAOYSA-N
SMILES:
O=C1C=CCN1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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