3-Chloro-2- (hydroxymethyl) phenol

CAT: 0127-OR1080444Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1080444Size:1 g

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CAS Number

1094627-55-0

MDL Number

MFCD09910142

Purity

97%

Smiles

C1ccc (c (c1Cl) CO) O

Chemical Information

3-Chloro-2-(hydroxymethyl)phenol

CAS Number	1094627-55-0
PubChem CID	54101823
IUPAC Name	3-chloro-2-(hydroxymethyl)phenol
Molecular Formula	C7H7ClO2
Molecular Weight	158.58
XLogP	1.9
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	108

SMILES

C1=CC(=C(C(=C1)Cl)CO)O

InChI

InChI=1S/C7H7ClO2/c8-6-2-1-3-7(10)5(6)4-9/h1-3,9-10H,4H2

InChIKey

NAZWUVSCQYJWHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1094627-55-0

CID: 54101823

Formula: C7H7ClO2

MW: 158.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.58
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	158.0134572
Monoisotopic Mass	158.0134572
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
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
OR916640	3-Chloro-4- (hydroxymethyl) phenol
OR957512	3-Chloro-5- (hydroxymethyl) phenol
OR500010-01	4-Chloro-3- (hydroxymethyl) phenol
OR1048529-01	2-Chloro-4- (hydroxymethyl) phenol
OR25788-01	4-Chloro-2- (hydroxymethyl) phenol
OR957467	2-Chloro-5- (hydroxymethyl) phenol
PC1012785-01	2-Chloro-4-fluoro-3- (hydroxymethyl) phenol
PC1015231-01	6-Chloro-2-fluoro-3- (hydroxymethyl) phenol
OR10954-01	2- (Hydroxymethyl) phenol
PC110221	3-Fluoro-2- (hydroxymethyl) phenol

Catalog	Name
BKB29947	4-Chloro-3- (hydroxymethyl) phenol
TAA27482-01	2-Amino-3- (hydroxymethyl) phenol
431571-01	4-Chloro-2,6-bis (hydroxymethyl) phenol
AR-P31111-01	2- (Hydroxymethyl) -3-Nitro-Phenol
C433160	4-Chloro-2,6-bis(hydroxymethyl)phenol
NCA98719-01	4-[3- (Hydroxymethyl) phenoxy]phenol
160319	3- (4- (Hydroxymethyl) phenoxy) phenol
TRC-H948030-2.5G	3-(4-(Hydroxymethyl)phenoxy)phenol
KAC76216-01	3-Fluoro-5- (hydroxymethyl) phenol
TCA65811-01	2-Ethyl-6- (hydroxymethyl) phenol