4-Bromo-2-methoxypyrimidine

CAT: 0926-NB44324-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-NB44324-01Size:500 mg

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

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CAS Number

959240-72-3

MDL Number

MFCD09879097

Smiles

COC1=NC=CC (=N1) Br

Controlled

Chemical Information

4-Bromo-2-methoxypyrimidine

CAS Number	959240-72-3
PubChem CID	44119193
IUPAC Name	4-bromo-2-methoxypyrimidine
Molecular Formula	C5H5BrN2O
Molecular Weight	189.01
XLogP	1.5
Topological Polar Surface Area	35
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	91

SMILES

COC1=NC=CC(=N1)Br

InChI

InChI=1S/C5H5BrN2O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3

InChIKey

PVSARKGLAVSMNA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 959240-72-3

CID: 44119193

Formula: C5H5BrN2O

MW: 189.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.01
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	187.95853
Monoisotopic Mass	187.95853
Topological Polar Surface Area	35 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	91
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
EAA31985	5-Bromo-4-methoxypyrimidine
UCA54397-01	4-Bromo-6-methoxypyrimidine
RHC42232-01	2-Bromo-4-chloro-5-methoxypyrimidine
HCA05493-01	5-Bromo-4-chloro-2-methoxypyrimidine
JCD89764-01	2-Bromo-5-fluoro-4-methoxypyrimidine
PEA96990-01	5-Bromo-4-methoxypyrimidine-2-carbonitrile
EAA31988-01	5-Bromo-4-chloro-6-methoxypyrimidine
RLD82225-01	4-Bromo-5-chloro-6-methoxypyrimidine
NA44306-01	2-Amino-4-methoxypyrimidine
UMB90138-01	4- (Chloromethyl) -2-methoxypyrimidine

Catalog	Name
TRC-B687860-1G	2-Bromo-4-methoxypyrimidine
sc-357690A	4-Bromo-2-methoxypyrimidine
415920-01	2-Bromo-4-methoxypyrimidine-d3
abx185263-01	5-Bromo-4-methoxypyrimidine
OR83396-01	4-Bromo-6-methoxypyrimidine
HY-W004980-01	5-Bromo-2-chloro-4-methoxypyrimidine
415225-01	2-Amino-5-bromo-4-methoxypyrimidine
435666-01	5-Bromo-4- (dimethylamino) -2-methoxypyrimidine
435261-01	5-Bromo-2- (methylthio) -4-methoxypyrimidine
232933-01	4-Bromo-2-methoxypyrimidine ≥95% (NMR)