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1201643-73-3 | Benzeneacetonitrile, 4-(bromomethyl)-α,α-dimethyl-
CAS No: 1201643-73-3 Catalog No: AG000QFP MDL No:MFCD20184913
Product Description
Catalog Number:
AG000QFP
Chemical Name:
Benzeneacetonitrile, 4-(bromomethyl)-α,α-dimethyl-
CAS Number:
1201643-73-3
Molecular Formula:
C11H12BrN
Molecular Weight:
238.1237
MDL Number:
MFCD20184913
IUPAC Name:
2-[4-(bromomethyl)phenyl]-2-methylpropanenitrile
InChI:
InChI=1S/C11H12BrN/c1-11(2,8-13)10-5-3-9(7-12)4-6-10/h3-6H,7H2,1-2H3
InChI Key:
VSTXAWAMUHWZBE-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)C(C#N)(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.128g/mol
Monoisotopic Mass:
237.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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