3-Chloro-4-methylphenol

CAT: 0127-OR9971-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR9971-01Size:5 g

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CAS Number

615-62-3

Synonyms

2-Chloro-4-hydroxytoluene, 3-Chloro-p-cresol

MDL Number

MFCD00060319

Purity

97%

Smiles

Cc1ccc(O)cc1Cl

Chemical Information

3-Chloro-4-methylphenol

CAS Number	615-62-3
PubChem CID	14853
IUPAC Name	3-chloro-4-methylphenol
Molecular Formula	C7H7ClO
Molecular Weight	142.58
XLogP	3.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

CC1=C(C=C(C=C1)O)Cl

InChI

InChI=1S/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3

InChIKey

VQZRLBWPEHFGCD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 615-62-3

CID: 14853

Formula: C7H7ClO

MW: 142.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.58
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	142.0185425
Monoisotopic Mass	142.0185425
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.9
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
GK3346-25g	4-Chloro-3-methylphenol
sc-231605	3-Chloro-4-methylphenol
TRC-C369765-25G	4-Chloro-3-methylphenol [Chlorocresol]
AR-P01588-01	Chlorocresol (4-Chloro-3-Methylphenol)
TRC-C369762-50MG	4-Chloro-3-methylphenol-d3
GK1821-5g	2-Chloro-4-methylphenol
TRC-C371030-25G	4-Chloro-2-methylphenol
ZWC61208	4-Bromo-2-chloro-3-methylphenol