Clenbuterol Impurity 22

CAT: 1299-RM-C551822-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C551822-01Size:10 mg

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CAS Number

60677-40-9

Synonyms

1- (4-amino-3-bromo-5-chlorophenyl) ethan-1-one

Molecular Formula

C8H7BrClNO

Molecular Weight

248.5

Target Alternative Name

Clenbuterol

Product Name Synonym

1- (4-amino-3-bromo-5-chlorophenyl) ethan-1-one

Chemical Information

1-(4-Amino-3-bromo-5-chlorophenyl)ethan-1-one

CAS Number	60677-40-9
PubChem CID	12861464
IUPAC Name	1-(4-amino-3-bromo-5-chlorophenyl)ethanone
Molecular Formula	C8H7BrClNO
Molecular Weight	248.50
XLogP	2.2
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	188

SMILES

CC(=O)C1=CC(=C(C(=C1)Br)N)Cl

InChI

InChI=1S/C8H7BrClNO/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,11H2,1H3

InChIKey

RBGICBCTLDLAMA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60677-40-9

CID: 12861464

Formula: C8H7BrClNO

MW: 248.50

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.50
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	246.93995
Monoisotopic Mass	246.93995
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	12
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