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128660-38-8 | Benzonitrile, 4-(bromophenylmethyl)-
CAS No: 128660-38-8 Catalog No: AG000Y9F MDL No:MFCD20486423
Product Description
Catalog Number:
AG000Y9F
Chemical Name:
Benzonitrile, 4-(bromophenylmethyl)-
CAS Number:
128660-38-8
Molecular Formula:
C14H10BrN
Molecular Weight:
272.1399
MDL Number:
MFCD20486423
IUPAC Name:
4-[bromo(phenyl)methyl]benzonitrile
InChI:
InChI=1S/C14H10BrN/c15-14(12-4-2-1-3-5-12)13-8-6-11(10-16)7-9-13/h1-9,14H
InChI Key:
GRVPWOLGXHBUJY-UHFFFAOYSA-N
SMILES:
BrC(c1ccccc1)c1ccc(cc1)C#N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.145g/mol
Monoisotopic Mass:
271g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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