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Home > Bromides > 1314771-96-4
1314771-96-4 | Benzeneacetonitrile, 2-bromo-6-chloro-α,α-dimethyl-
CAS No: 1314771-96-4 Catalog No: AG000W8Z MDL No:
Product Description
Catalog Number:
AG000W8Z
Chemical Name:
Benzeneacetonitrile, 2-bromo-6-chloro-α,α-dimethyl-
CAS Number:
1314771-96-4
Molecular Formula:
C10H9BrClN
Molecular Weight:
258.5422
IUPAC Name:
2-(2-bromo-6-chlorophenyl)-2-methylpropanenitrile
InChI:
InChI=1S/C10H9BrClN/c1-10(2,6-13)9-7(11)4-3-5-8(9)12/h3-5H,1-2H3
InChI Key:
NJRVSOXLVKIZSX-UHFFFAOYSA-N
SMILES:
N#CC(c1c(Cl)cccc1Br)(C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.961g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.543g/mol
Monoisotopic Mass:
256.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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