Home Halogens Benzene, 1-bromo-3-(phenylmethyl)-

Benzene, 1-bromo-3-(phenylmethyl)-

CAS No.:
27798-39-6
Catalog Number:
AG002URZ
Molecular Formula:
C13H11Br
Molecular Weight:
247.1304
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Product Description
Catalog Number:
AG002URZ
Chemical Name:
Benzene, 1-bromo-3-(phenylmethyl)-
CAS Number:
27798-39-6
Molecular Formula:
C13H11Br
Molecular Weight:
247.1304
MDL Number:
MFCD18432375
IUPAC Name:
1-benzyl-3-bromobenzene
InChI:
InChI=1S/C13H11Br/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChI Key:
KMBNQIVUWJLMIN-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)Cc1ccccc1
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.004g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.135g/mol
Monoisotopic Mass:
246.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties