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13311-72-3 | Phenol, 4-bromo-2,3,6-trichloro-
CAS No: 13311-72-3 Catalog No: AG00149Y MDL No:
Product Description
Catalog Number:
AG00149Y
Chemical Name:
Phenol, 4-bromo-2,3,6-trichloro-
CAS Number:
13311-72-3
Molecular Formula:
C6H2BrCl3O
Molecular Weight:
276.3425
IUPAC Name:
4-bromo-2,3,6-trichlorophenol
InChI:
InChI=1S/C6H2BrCl3O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
InChI Key:
QXTYKQOYAPZQOA-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)c(c(c1O)Cl)Cl
EC Number:
236-340-3
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.835g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.335g/mol
Monoisotopic Mass:
273.835g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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