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83329-72-0 | Phenol, 3,4-dichloro-2-[(5-chloro-2-hydroxyphenyl)methyl]-
CAS No: 83329-72-0 Catalog No: AG004X9A MDL No:
Product Description
Catalog Number:
AG004X9A
Chemical Name:
Phenol, 3,4-dichloro-2-[(5-chloro-2-hydroxyphenyl)methyl]-
CAS Number:
83329-72-0
Molecular Formula:
C13H9Cl3O2
Molecular Weight:
303.5684
IUPAC Name:
3,4-dichloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol
InChI:
InChI=1S/C13H9Cl3O2/c14-8-1-3-11(17)7(5-8)6-9-12(18)4-2-10(15)13(9)16/h1-5,17-18H,6H2
InChI Key:
XAKQYTSKUIWCFZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cc1c(O)ccc(c1Cl)Cl)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.967g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.563g/mol
Monoisotopic Mass:
301.967g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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