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149243-80-1 | 3-Bromo-2'-methylbenzhydrol
CAS No: 149243-80-1 Catalog No: AG01FFEQ MDL No:
Product Description
Catalog Number:
AG01FFEQ
Chemical Name:
3-Bromo-2'-methylbenzhydrol
CAS Number:
149243-80-1
Molecular Formula:
C14H13BrO
Molecular Weight:
277.1564
IUPAC Name:
(3-bromophenyl)-(2-methylphenyl)methanol
InChI:
InChI=1S/C14H13BrO/c1-10-5-2-3-8-13(10)14(16)11-6-4-7-12(15)9-11/h2-9,14,16H,1H3
InChI Key:
JVBUUXIPQHBCHL-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(c1ccccc1C)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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