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Home > Nitro Compounds > 1215104-00-9
1215104-00-9 | 1-(3-nitrophenyl)cyclobutane-1-carbonitrile
CAS No: 1215104-00-9 Catalog No: AG01DTRQ MDL No:MFCD11036724
Product Description
Catalog Number:
AG01DTRQ
Chemical Name:
1-(3-nitrophenyl)cyclobutane-1-carbonitrile
CAS Number:
1215104-00-9
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD11036724
IUPAC Name:
1-(3-nitrophenyl)cyclobutane-1-carbonitrile
InChI:
InChI=1S/C11H10N2O2/c12-8-11(5-2-6-11)9-3-1-4-10(7-9)13(14)15/h1,3-4,7H,2,5-6H2
InChI Key:
HWARNLYPVCYXJB-UHFFFAOYSA-N
SMILES:
N#CC1(CCC1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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