Furfural Impurity 6

CAT: 1596-AR-F11086-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F11086-01Size:10 Units

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CAS Number

1265365-41-0

Molecular Formula

C6H7ClO2

Molecular Weight

146.57

API Name

Furfural

Chemical Information

2-Furanmethanol, 5-(chloromethyl)-

CAS Number	1265365-41-0
PubChem CID	85572938
IUPAC Name	[5-(chloromethyl)furan-2-yl]methanol
Molecular Formula	C6H7ClO2
Molecular Weight	146.57
XLogP	0.6
Topological Polar Surface Area	33.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	87

SMILES

C1=C(OC(=C1)CCl)CO

InChI

InChI=1S/C6H7ClO2/c7-3-5-1-2-6(4-8)9-5/h1-2,8H,3-4H2

InChIKey

SCMVVLJZNNJDHM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1265365-41-0

CID: 85572938

Formula: C6H7ClO2

MW: 146.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.57
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	146.0134572
Monoisotopic Mass	146.0134572
Topological Polar Surface Area	33.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	87.1
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
AR-F11088-01	Furfural Impurity 3
AR-F11089-01	Furfural Impurity 4
AR-F11087-01	Furfural Impurity 7
AR-F11085-01	Furfural Impurity 5
AR-F02208-01	Furfural
AR-F02209-01	5-Hydroxymethyl Furfural
AR-F11091-01	3-Hydroxy Furfural
AR-F11090-01	Sulfoxymethyl-Furfural Sodium Salt
AR-N08786-01	Nintedanib Impurity 6 Ditrifluoroacetate (Intedanib Impurity 6 Ditrifluoroacetate)
AR-L01363-01	Lercanidipine Impurity 6

Catalog	Name
RM-F212128-01	Furfural Impurity 1
RM-F212129-01	Furfural Impurity 2
RM-F212127-01	5-Hydroxymethyl Furfural; Glucosamine Hydrochloride EP Impurity E
MBS3610292	Furfural
164251	Furfural-d4
268415-01	5- (Chloromethyl) furfural
47462-01	Furfural pure, 99%
M6820-01	5-Methyl furfural
16603733	5- (Hydroxymethyl) furfural
C369220	5-(Chloromethyl)furfural