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Home > Bromides > 1443313-01-6
1443313-01-6 | 3-Bromo-3'-chloro-4'-fluorobenzhydrol
CAS No: 1443313-01-6 Catalog No: AG01FD50 MDL No:
Product Description
Catalog Number:
AG01FD50
Chemical Name:
3-Bromo-3'-chloro-4'-fluorobenzhydrol
CAS Number:
1443313-01-6
Molecular Formula:
C13H9BrClFO
Molecular Weight:
315.5654
IUPAC Name:
(3-bromophenyl)-(3-chloro-4-fluorophenyl)methanol
InChI:
InChI=1S/C13H9BrClFO/c14-10-3-1-2-8(6-10)13(17)9-4-5-12(16)11(15)7-9/h1-7,13,17H
InChI Key:
FJAHBUUCLQFXTN-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(c1ccc(c(c1)Cl)F)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.951g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.566g/mol
Monoisotopic Mass:
313.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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