Ambroxol Impurity 26

CAT: 1596-AR-A06094-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06094-02Size:25 Units

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

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CAS Number

42460-62-8

Molecular Formula

C7H5Br2NO

Molecular Weight

278.93

API Name

Ambroxol

Chemical Information

4-Amino-3,5-dibromobenzaldehyde

CAS Number	42460-62-8
PubChem CID	817210
IUPAC Name	4-amino-3,5-dibromobenzaldehyde
Molecular Formula	C7H5Br2NO
Molecular Weight	278.93
XLogP	2.1
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	141

SMILES

C1=C(C=C(C(=C1Br)N)Br)C=O

InChI

InChI=1S/C7H5Br2NO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H,10H2

InChIKey

QHFGYJWGASPRHW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42460-62-8

CID: 817210

Formula: C7H5Br2NO

MW: 278.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.93
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	278.87174
Monoisotopic Mass	276.87379
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	141
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