4-Chloro-2,3-difluorophenol

CAT: 0926-LAC63463-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-LAC63463-01Size:100 mg

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CAS Number

1261634-63-2

MDL Number

MFCD18415633

Smiles

C1=CC (=C (C (=C1O) F) F) Cl

Molecular Formula

C6H3ClF2O

Molecular Weight

164.54 g/mol

Controlled

Chemical Information

4-Chloro-2,3-difluorophenol

CAS Number	1261634-63-2
PubChem CID	112692739
IUPAC Name	4-chloro-2,3-difluorophenol
Molecular Formula	C6H3ClF2O
Molecular Weight	164.54
XLogP	2.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	122

SMILES

C1=CC(=C(C(=C1O)F)F)Cl

InChI

InChI=1S/C6H3ClF2O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H

InChIKey

HVLUXBQZVNQLTE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1261634-63-2

CID: 112692739

Formula: C6H3ClF2O

MW: 164.54

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.54
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	163.9840487
Monoisotopic Mass	163.9840487
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FC78450	3-Chloro-2,4-difluorophenol
FC78451-01	2-Chloro-4,6-Difluorophenol
FC78452	2-Chloro-4,5-Difluorophenol
BFB44047-01	4- (2-Aminoethyl) -3,5-difluorophenol
ETC10315-01	4- (1-Aminocyclohexyl) -2,3-difluorophenol
FDD55321	4-Amino-2,3-difluorophenol hydrochloride
FPA42348	5-Bromo-2,4-difluorophenol
FC50762-01	4-Cyano-3,5-difluorophenol
FB34211-01	4-Bromo-2,6-difluorophenol
FXC22502-01	(4-Chloro-2,3-difluorophenyl) methanamine