Macitentan Impurity 38

CAT: 1299-RM-M010338-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M010338-02Size:25 mg

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CAS Number

146533-41-7

Synonyms

5- (4-bromophenyl) -4,6-dichloropyrimidine

Molecular Formula

C10H5BrCl2N2

Molecular Weight

303.97

Target Alternative Name

Macitentan

Product Name Synonym

5- (4-bromophenyl) -4,6-dichloropyrimidine

Chemical Information

5-(4-Bromophenyl)-4,6-dichloropyrimidine

CAS Number	146533-41-7
PubChem CID	19735262
IUPAC Name	5-(4-bromophenyl)-4,6-dichloropyrimidine
Molecular Formula	C10H5BrCl2N2
Molecular Weight	303.97
XLogP	4.4
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	200

SMILES

C1=CC(=CC=C1C2=C(N=CN=C2Cl)Cl)Br

InChI

InChI=1S/C10H5BrCl2N2/c11-7-3-1-6(2-4-7)8-9(12)14-5-15-10(8)13/h1-5H

InChIKey

WEEFLZORZXLIJE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 146533-41-7

CID: 19735262

Formula: C10H5BrCl2N2

MW: 303.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	303.97
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	301.90132
Monoisotopic Mass	301.90132
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	200
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