2-benzyl-4-chlorophenol

CAT: 0127-OR28658-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR28658-01Size:25 g

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CAS Number

120-32-1

MDL Number

MFCD00020140

Purity

97%

Smiles

Oc1ccc(Cl)cc1Cc2ccccc2

Chemical Information

Chlorophene

2-benzyl-4-chlorophenol is a diarylmethane.

CAS Number	120-32-1
PubChem CID	8425
IUPAC Name	2-benzyl-4-chlorophenol
Molecular Formula	C13H11ClO
Molecular Weight	218.68
XLogP	4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	189

SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2

InChIKey

NCKMMSIFQUPKCK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120-32-1

CID: 8425

Formula: C13H11ClO

MW: 218.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.68
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	218.0498427
Monoisotopic Mass	218.0498427
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	189
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
OR1099291-01	2-benzyl-6-bromo-4-chlorophenol
OR1092178-01	2- (Benzyloxy) -4-chlorophenol
OR1051943-01	4- (Benzyloxy) -2-chlorophenol
OR1044682-01	2- (Aminomethyl) -4-chlorophenol
OR2160-01	2-Bromo-4-chlorophenol
OR1072-01	4-Bromo-2-chlorophenol
OR60093	4-Amino-2-chlorophenol
OR1076836-01	2,2'-Thiobis (4-Chlorophenol)
OR8830-01	4-Chlorophenol
OR13887	2- (2-Aminopyrimidin-4-yl) -4-chlorophenol

Catalog	Name
sc-225170	2-Benzyl-4-chlorophenol
FC20724	2-Cyclopentyl-4-chlorophenol
001233	4-Acetylamino-2-chlorophenol
258882-01	2-Acetylamino-4-chlorophenol
TRC-A603275-5G	2-Amino-4-chlorophenol
sc-494241	2- (anilinomethyl) -4-chlorophenol
sc-230005	2-Bromo-4-chlorophenol
FA64414-01	4-Amino-2-chlorophenol
430717-01	4-Bromo-2-chlorophenol
601005	2‐AMINO‐4‐CHLOROPHENOL