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64798-33-0 | Benzeneacetonitrile, 3-chloro-a,a-dimethyl-
CAS No: 64798-33-0 Catalog No: AG01FN4G MDL No:MFCD11036579
Product Description
Catalog Number:
AG01FN4G
Chemical Name:
Benzeneacetonitrile, 3-chloro-a,a-dimethyl-
CAS Number:
64798-33-0
Molecular Formula:
C10H10ClN
Molecular Weight:
179.6461
MDL Number:
MFCD11036579
IUPAC Name:
2-(3-chlorophenyl)-2-methylpropanenitrile
InChI:
InChI=1S/C10H10ClN/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-6H,1-2H3
InChI Key:
IYJBBMPFLUJOPB-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)Cl)(C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.647g/mol
Monoisotopic Mass:
179.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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