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Home > Bromides > 23450-18-2

23450-18-2

23450-18-2 | Benzene, 1-bromo-2-(phenylmethyl)-

CAS No: 23450-18-2 Catalog No: AG002NAY MDL No:MFCD00079713

Product Description

Catalog Number:
AG002NAY
Chemical Name:
Benzene, 1-bromo-2-(phenylmethyl)-
CAS Number:
23450-18-2
Molecular Formula:
C13H11Br
Molecular Weight:
247.1304
MDL Number:
MFCD00079713
IUPAC Name:
1-benzyl-2-bromobenzene
InChI:
InChI=1S/C13H11Br/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
DLCYFIIONMLNAJ-UHFFFAOYSA-N
SMILES:
Brc1ccccc1Cc1ccccc1

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  

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