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3,4-dichlorophenol

3,4-dichlorophenol

CAS: 95-77-2

Formula: C6H4Cl2O

SMILES: OC1=CC(Cl)=C(Cl)C=C1

IUPAC: 3,4-dichlorophenol

InChI: InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

Composition: C (44.21%), H (2.47%), Cl (43.50%), O (9.82%)

Molar Mass: 163

Atom Count: 13

Heavy Atom Count: 9

Properties
Properties
Common Names C6H4cl2O
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 161.9639201
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey WDNBURPWRNALGP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.65
Topological Polar Surface Area 20.23
Polarizability 14.76
Ring Count 1
Rotatable Bond Count 0

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