Ambroxol Impurity 9

CAT: 1299-RM-A057009-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A057009-02Size:25 mg

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

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CAS Number

1142191-66-9

Synonyms

5-bromo-3-methoxypicolinic acid

Molecular Formula

C7H6BrNO3

Molecular Weight

232.03

Target Alternative Name

Ambroxol

Product Name Synonym

5-bromo-3-methoxypicolinic acid

Chemical Information

5-Bromo-3-methoxypyridine-2-carboxylic acid

CAS Number	1142191-66-9
PubChem CID	46736828
IUPAC Name	5-bromo-3-methoxypyridine-2-carboxylic acid
Molecular Formula	C7H6BrNO3
Molecular Weight	232.03
XLogP	1.4
Topological Polar Surface Area	59.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	176

SMILES

COC1=C(N=CC(=C1)Br)C(=O)O

InChI

InChI=1S/C7H6BrNO3/c1-12-5-2-4(8)3-9-6(5)7(10)11/h2-3H,1H3,(H,10,11)

InChIKey

UTRZGSGCVSZCCL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1142191-66-9

CID: 46736828

Formula: C7H6BrNO3

MW: 232.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.03
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	230.95311
Monoisotopic Mass	230.95311
Topological Polar Surface Area	59.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176
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