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1260778-72-0 | Benzonitrile, 4-(2-chloroethyl)-
CAS No: 1260778-72-0 Catalog No: AG000R83 MDL No:MFCD12756714
Product Description
Catalog Number:
AG000R83
Chemical Name:
Benzonitrile, 4-(2-chloroethyl)-
CAS Number:
1260778-72-0
Molecular Formula:
C9H8ClN
Molecular Weight:
165.6195
MDL Number:
MFCD12756714
IUPAC Name:
4-(2-chloroethyl)benzonitrile
InChI:
InChI=1S/C9H8ClN/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5-6H2
InChI Key:
SCDLDNNUCNWTQH-UHFFFAOYSA-N
SMILES:
ClCCc1ccc(cc1)C#N
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.62g/mol
Monoisotopic Mass:
165.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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