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Home > Bromides > 1443345-95-6
1443345-95-6 | 4-Bromo-3'-chloro-4'-fluorobenzhydrol
CAS No: 1443345-95-6 Catalog No: AG01FD70 MDL No:
Product Description
Catalog Number:
AG01FD70
Chemical Name:
4-Bromo-3'-chloro-4'-fluorobenzhydrol
CAS Number:
1443345-95-6
Molecular Formula:
C13H9BrClFO
Molecular Weight:
315.5654
IUPAC Name:
(4-bromophenyl)-(3-chloro-4-fluorophenyl)methanol
InChI:
InChI=1S/C13H9BrClFO/c14-10-4-1-8(2-5-10)13(17)9-3-6-12(16)11(15)7-9/h1-7,13,17H
InChI Key:
XNQQNRRVDRRQRC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(c1ccc(c(c1)Cl)F)O
Properties
Complexity:
246
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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