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Home > Bromides > 1408913-07-4
1408913-07-4 | 4-Bromo-3'-chloro-4'-methylbenzhydrol
CAS No: 1408913-07-4 Catalog No: AG01FD3O MDL No:
Product Description
Catalog Number:
AG01FD3O
Chemical Name:
4-Bromo-3'-chloro-4'-methylbenzhydrol
CAS Number:
1408913-07-4
Molecular Formula:
C14H12BrClO
Molecular Weight:
311.6015
IUPAC Name:
(4-bromophenyl)-(3-chloro-4-methylphenyl)methanol
InChI:
InChI=1S/C14H12BrClO/c1-9-2-3-11(8-13(9)16)14(17)10-4-6-12(15)7-5-10/h2-8,14,17H,1H3
InChI Key:
AJLKRSKAZLMMSV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(c1ccc(c(c1)Cl)C)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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