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116673-94-0 | Butanenitrile, 4-chloro-3,3-dimethyl-
CAS No: 116673-94-0 Catalog No: AG000CZA MDL No:MFCD09998372
Product Description
Catalog Number:
AG000CZA
Chemical Name:
Butanenitrile, 4-chloro-3,3-dimethyl-
CAS Number:
116673-94-0
Molecular Formula:
C6H10ClN
Molecular Weight:
131.6033
MDL Number:
MFCD09998372
IUPAC Name:
4-chloro-3,3-dimethylbutanenitrile
InChI:
InChI=1S/C6H10ClN/c1-6(2,5-7)3-4-8/h3,5H2,1-2H3
InChI Key:
IYTHQBPUIIUTFH-UHFFFAOYSA-N
SMILES:
ClCC(CC#N)(C)C
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.05g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.603g/mol
Monoisotopic Mass:
131.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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