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Home > Bromides > 1443309-29-2
1443309-29-2 | 4-Bromo-4'-chloro-3'-methylbenzhydrol
CAS No: 1443309-29-2 Catalog No: AG01FD4N MDL No:
Product Description
Catalog Number:
AG01FD4N
Chemical Name:
4-Bromo-4'-chloro-3'-methylbenzhydrol
CAS Number:
1443309-29-2
Molecular Formula:
C14H12BrClO
Molecular Weight:
311.6015
IUPAC Name:
(4-bromophenyl)-(4-chloro-3-methylphenyl)methanol
InChI:
InChI=1S/C14H12BrClO/c1-9-8-11(4-7-13(9)16)14(17)10-2-5-12(15)6-3-10/h2-8,14,17H,1H3
InChI Key:
JAIYZIBWZGAPSC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(c1ccc(c(c1)C)Cl)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.976g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.603g/mol
Monoisotopic Mass:
309.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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