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101184-73-0 | Benzeneacetonitrile, 4-bromo-α,α-dimethyl-
CAS No: 101184-73-0 Catalog No: AG0003WA MDL No:MFCD02684219
Product Description
Catalog Number:
AG0003WA
Chemical Name:
Benzeneacetonitrile, 4-bromo-α,α-dimethyl-
CAS Number:
101184-73-0
Molecular Formula:
C10H10BrN
Molecular Weight:
224.0971
MDL Number:
MFCD02684219
IUPAC Name:
2-(4-bromophenyl)-2-methylpropanenitrile
InChI:
InChI=1S/C10H10BrN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,1-2H3
InChI Key:
DABJLFKRJWUXMV-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)Br)(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.101g/mol
Monoisotopic Mass:
223g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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