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88207-72-1 | 1,3-Benzenediol, 2,4-dichloro-5-methyl-
CAS No: 88207-72-1 Catalog No: AG004C1L MDL No:
Product Description
Catalog Number:
AG004C1L
Chemical Name:
1,3-Benzenediol, 2,4-dichloro-5-methyl-
CAS Number:
88207-72-1
Molecular Formula:
C7H6Cl2O2
Molecular Weight:
193.0273
IUPAC Name:
2,4-dichloro-5-methylbenzene-1,3-diol
InChI:
InChI=1S/C7H6Cl2O2/c1-3-2-4(10)6(9)7(11)5(3)8/h2,10-11H,1H3
InChI Key:
KAVZFYILXGYMSX-UHFFFAOYSA-N
SMILES:
Clc1c(C)cc(c(c1O)Cl)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.974g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.023g/mol
Monoisotopic Mass:
191.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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