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87568-17-0 | 1,2-Benzenediol, 4-chloro-3,5-dimethyl-
CAS No: 87568-17-0 Catalog No: AG004R1J MDL No:
Product Description
Catalog Number:
AG004R1J
Chemical Name:
1,2-Benzenediol, 4-chloro-3,5-dimethyl-
CAS Number:
87568-17-0
Molecular Formula:
C8H9ClO2
Molecular Weight:
172.6089
IUPAC Name:
4-chloro-3,5-dimethylbenzene-1,2-diol
InChI:
InChI=1S/C8H9ClO2/c1-4-3-6(10)8(11)5(2)7(4)9/h3,10-11H,1-2H3
InChI Key:
SSHGSTQNUASBDK-UHFFFAOYSA-N
SMILES:
Oc1cc(C)c(c(c1O)C)Cl
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.608g/mol
Monoisotopic Mass:
172.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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