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18113-13-8 | Phenol, 2,4-dichloro-5-methoxy-
CAS No: 18113-13-8 Catalog No: AG0022PA MDL No:MFCD10699699
Product Description
Catalog Number:
AG0022PA
Chemical Name:
Phenol, 2,4-dichloro-5-methoxy-
CAS Number:
18113-13-8
Molecular Formula:
C7H6Cl2O2
Molecular Weight:
193.0273
MDL Number:
MFCD10699699
IUPAC Name:
2,4-dichloro-5-methoxyphenol
InChI:
InChI=1S/C7H6Cl2O2/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3,10H,1H3
InChI Key:
PTQSMAIBWQQYKJ-UHFFFAOYSA-N
SMILES:
COc1cc(O)c(cc1Cl)Cl
Properties
Complexity:
132
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:
1
Isotope Atom Count:
0
Molecular Weight:
193.023g/mol
Monoisotopic Mass:
191.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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