Ambroxol Impurity 18

CAT: 1596-AR-A06087-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-A06087-05Size:150

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

953039-29-7

Molecular Formula

C7H7BrClNO

Molecular Weight

236.49

API Name

Ambroxol

Chemical Information

(2-Amino-5-bromo-3-chlorophenyl)methanol

CAS Number	953039-29-7
PubChem CID	67080684
IUPAC Name	(2-amino-5-bromo-3-chlorophenyl)methanol
Molecular Formula	C7H7BrClNO
Molecular Weight	236.49
XLogP	2.2
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	136

SMILES

C1=C(C=C(C(=C1CO)N)Cl)Br

InChI

InChI=1S/C7H7BrClNO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3,10H2

InChIKey

MBSDAQFJBIHXIS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 953039-29-7

CID: 67080684

Formula: C7H7BrClNO

MW: 236.49

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.49
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	234.93995
Monoisotopic Mass	234.93995
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
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