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Home > Bromides > 1179310-95-2
1179310-95-2 | 3-Bromo-3'-methylbenzhydrol
CAS No: 1179310-95-2 Catalog No: AG01FFCY MDL No:
Product Description
Catalog Number:
AG01FFCY
Chemical Name:
3-Bromo-3'-methylbenzhydrol
CAS Number:
1179310-95-2
Molecular Formula:
C14H13BrO
Molecular Weight:
277.1564
IUPAC Name:
(3-bromophenyl)-(3-methylphenyl)methanol
InChI:
InChI=1S/C14H13BrO/c1-10-4-2-5-11(8-10)14(16)12-6-3-7-13(15)9-12/h2-9,14,16H,1H3
InChI Key:
ZBMIXGKECIXMFV-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(c1cccc(c1)Br)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.161g/mol
Monoisotopic Mass:
276.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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