Clenbuterol Impurity 37

CAT: 1299-RM-C551837-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C551837-01Size:10 mg

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CAS Number

62871-48-1

Synonyms

1- (4-amino-3,5-dichlorophenyl) -2-chloroethan-1-one

Molecular Formula

C8H6Cl3NO

Molecular Weight

238.49

Target Alternative Name

Clenbuterol

Product Name Synonym

1- (4-amino-3,5-dichlorophenyl) -2-chloroethan-1-one

Chemical Information

1-(4-Amino-3,5-dichlorophenyl)-2-chloroethan-1-one

CAS Number	62871-48-1
PubChem CID	71373700
IUPAC Name	1-(4-amino-3,5-dichlorophenyl)-2-chloroethanone
Molecular Formula	C8H6Cl3NO
Molecular Weight	238.5
XLogP	3.4
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	188

SMILES

C1=C(C=C(C(=C1Cl)N)Cl)C(=O)CCl

InChI

InChI=1S/C8H6Cl3NO/c9-3-7(13)4-1-5(10)8(12)6(11)2-4/h1-2H,3,12H2

InChIKey

FHWQPXIDUJZFQJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62871-48-1

CID: 71373700

Formula: C8H6Cl3NO

MW: 238.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.5
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	236.951497
Monoisotopic Mass	236.951497
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	188
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