Ambroxol Impurity 22

CAT: 1596-AR-A06091-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06091-01Size:10 Units

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

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CAS Number

1807328-39-7

Molecular Formula

C13H12Br2N2O

Molecular Weight

372.06

API Name

Ambroxol

Chemical Information

4-((2-Amino-3,5-dibromobenzyl)amino)phenol

CAS Number	1807328-39-7
PubChem CID	24837110
IUPAC Name	4-[(2-amino-3,5-dibromophenyl)methylamino]phenol
Molecular Formula	C13H12Br2N2O
Molecular Weight	372.05
XLogP	3.7
Topological Polar Surface Area	58.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	259

SMILES

C1=CC(=CC=C1NCC2=C(C(=CC(=C2)Br)Br)N)O

InChI

InChI=1S/C13H12Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h1-6,17-18H,7,16H2

InChIKey

JOJPEYJSPXYXTD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1807328-39-7

CID: 24837110

Formula: C13H12Br2N2O

MW: 372.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	372.05
XLogP3	3.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	371.92959
Monoisotopic Mass	369.93164
Topological Polar Surface Area	58.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	259
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