4-Bromo-2-Chloropyrimidine

CAT: 1299-RM-M010315-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M010315-01Size:10 mg

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CAS Number

885702-34-1

Synonyms

4-Bromo-2-chloropyrimidine

Molecular Formula

C4H2BrClN2

Molecular Weight

193.43

Target Alternative Name

Macitentan

Product Name Synonym

4-Bromo-2-chloropyrimidine

Chemical Information

4-Bromo-2-chloropyrimidine

CAS Number	885702-34-1
PubChem CID	45117394
IUPAC Name	4-bromo-2-chloropyrimidine
Molecular Formula	C4H2BrClN2
Molecular Weight	193.43
XLogP	2.2
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	80

SMILES

C1=CN=C(N=C1Br)Cl

InChI

InChI=1S/C4H2BrClN2/c5-3-1-2-7-4(6)8-3/h1-2H

InChIKey

FBEBVAQOMVWORE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 885702-34-1

CID: 45117394

Formula: C4H2BrClN2

MW: 193.43

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.43
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	191.90899
Monoisotopic Mass	191.90899
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	80.4
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

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