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53087-13-1 | 1-(Benzyloxy);-3-bromobenzene
CAS No: 53087-13-1 Catalog No: AG003D24 MDL No:MFCD00155065
Product Description
Catalog Number:
AG003D24
Chemical Name:
1-(Benzyloxy);-3-bromobenzene
CAS Number:
53087-13-1
Molecular Formula:
C13H11BrO
Molecular Weight:
263.1298
MDL Number:
MFCD00155065
IUPAC Name:
1-bromo-3-phenylmethoxybenzene
InChI:
InChI=1S/C13H11BrO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2
InChI Key:
HVWZMGZBJCJDOX-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)OCc1ccccc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.134g/mol
Monoisotopic Mass:
261.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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