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14704-31-5 | 1,1'-Biphenyl, 3-(bromomethyl)-
CAS No: 14704-31-5 Catalog No: AG001EKF MDL No:MFCD03452790
Product Description
Catalog Number:
AG001EKF
Chemical Name:
1,1'-Biphenyl, 3-(bromomethyl)-
CAS Number:
14704-31-5
Molecular Formula:
C13H11Br
Molecular Weight:
247.1304
MDL Number:
MFCD03452790
IUPAC Name:
1-(bromomethyl)-3-phenylbenzene
InChI:
InChI=1S/C13H11Br/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2
InChI Key:
RTFPTPXBTIUISM-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1)c1ccccc1
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:
4.1
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