Ambroxol Impurity 19

CAT: 1596-AR-A06088-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06088-02Size:25 Units

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CAS Number

1631131-54-8

Molecular Formula

C7H6BrCl2N

Molecular Weight

254.94

API Name

Ambroxol

Chemical Information

Ambroxol Impurity 100

CAS Number	1631131-54-8
PubChem CID	130119118
IUPAC Name	4-bromo-2-chloro-6-(chloromethyl)aniline
Molecular Formula	C7H6BrCl2N
Molecular Weight	254.94
XLogP	2.9
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	134

SMILES

C1=C(C=C(C(=C1CCl)N)Cl)Br

InChI

InChI=1S/C7H6BrCl2N/c8-5-1-4(3-9)7(11)6(10)2-5/h1-2H,3,11H2

InChIKey

HEBSIUCJISBIBT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1631131-54-8

CID: 130119118

Formula: C7H6BrCl2N

MW: 254.94

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.94
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	252.90607
Monoisotopic Mass	252.90607
Topological Polar Surface Area	26 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	134
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