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116087-14-0 | Benzene, (bromophenylmethyl)methyl- (9CI)
CAS No: 116087-14-0 Catalog No: AG000BLP MDL No:
Product Description
Catalog Number:
AG000BLP
Chemical Name:
Benzene, (bromophenylmethyl)methyl- (9CI)
CAS Number:
116087-14-0
Molecular Formula:
C14H13Br
Molecular Weight:
261.1570
IUPAC Name:
1-[bromo(phenyl)methyl]-2-methylbenzene
InChI:
InChI=1S/C14H13Br/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14H,1H3
InChI Key:
CDVGBAUAPNIFPX-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(c1ccccc1)Br
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.162g/mol
Monoisotopic Mass:
260.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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