4-Bromo-5-chloropyrimidine

CAT: 0926-LAC62882-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-LAC62882-01Size:50 mg

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CAS Number

1261628-82-3

MDL Number

MFCD18415477

Smiles

C1=C (C (=NC=N1) Br) Cl

Molecular Formula

C4H2BrClN2

Molecular Weight

193.43 g/mol

Controlled

Chemical Information

4-Bromo-5-chloropyrimidine

CAS Number	1261628-82-3
PubChem CID	112692769
IUPAC Name	4-bromo-5-chloropyrimidine
Molecular Formula	C4H2BrClN2
Molecular Weight	193.43
XLogP	1.9
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=C(C(=NC=N1)Br)Cl

InChI

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

InChIKey

JQJJHFUJRMYKQC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1261628-82-3

CID: 112692769

Formula: C4H2BrClN2

MW: 193.43

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.43
XLogP3	1.9
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

Catalog	Name
FB11177-01	5-Bromo-2-chloropyrimidine
KKB70233-01	2-Bromo-4-chloropyrimidine
JCD43589-01	Ethyl 5-bromo-4-chloropyrimidine-2-carboxylate
PEA96965-01	5-Chloropyrimidine-4-carbonitrile
ZEA99947-01	Methyl 5-chloropyrimidine-4-carboxylate
RAC48096-01	2,4-Dibromo-5-chloropyrimidine
PCA22465-01	5-Chloropyrimidine-4-carboxylic acid
WZB47145-01	Methyl 4-chloropyrimidine-5-carboxylate
FD21470-01	4,5-Diamino-6-chloropyrimidine
NLC67154-01	2- (4-Bromophenoxy) -5-chloropyrimidine

Catalog	Name
435695-01	5-Bromo-4-chloropyrimidine
sc-396432	4-Amino-5-bromo-6-chloropyrimidine
OR310081-01	4- (Benzyloxy) -5-bromo-2-chloropyrimidine
sc-267258	4-Benzyloxy-5-bromo-2-chloropyrimidine
abx185189-01	4-Amino-5-bromo-2-chloropyrimidine
TYD-00486-01	5-Bromo-2-chloropyrimidine
OR923484-01	2-Bromo-5-chloropyrimidine
OR52309-01	4-Bromo-2-chloropyrimidine
abx180297	2-Bromo-4-chloropyrimidine
AR-M03647-01	5-Bromo-2-chloropyrimidine Impurity