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81981-18-2 | 3-Butenenitrile, 4-(4-chlorophenyl)-
CAS No: 81981-18-2 Catalog No: AG004ZT0 MDL No:
Product Description
Catalog Number:
AG004ZT0
Chemical Name:
3-Butenenitrile, 4-(4-chlorophenyl)-
CAS Number:
81981-18-2
Molecular Formula:
C10H8ClN
Molecular Weight:
177.6302
IUPAC Name:
4-(4-chlorophenyl)but-3-enenitrile
InChI:
InChI=1S/C10H8ClN/c11-10-6-4-9(5-7-10)3-1-2-8-12/h1,3-7H,2H2
InChI Key:
OVLCNDYIHKBPOG-UHFFFAOYSA-N
SMILES:
N#CCC=Cc1ccc(cc1)Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.631g/mol
Monoisotopic Mass:
177.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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