4,5-Dichloro-2-methoxypyrimidine

CAT: 0926-QZB60133-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-QZB60133-01Size:50 mg

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CAS Number

1240601-33-5

MDL Number

MFCD16987926

Smiles

COC1=NC=C (C (=N1) Cl) Cl

Molecular Formula

C5H4Cl2N2O

Molecular Weight

179 g/mol

Controlled

Chemical Information

4,5-Dichloro-2-methoxypyrimidine

CAS Number	1240601-33-5
PubChem CID	71756057
IUPAC Name	4,5-dichloro-2-methoxypyrimidine
Molecular Formula	C5H4Cl2N2O
Molecular Weight	179.00
XLogP	2.1
Topological Polar Surface Area	35
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	114

SMILES

COC1=NC=C(C(=N1)Cl)Cl

InChI

InChI=1S/C5H4Cl2N2O/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3

InChIKey

WUKCAHZEASJRLD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1240601-33-5

CID: 71756057

Formula: C5H4Cl2N2O

MW: 179.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.00
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	177.9700681
Monoisotopic Mass	177.9700681
Topological Polar Surface Area	35 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	114
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
ND11522-01	4,6-Dichloro-5-methoxypyrimidine
FD21617-01	4,6-Dichloro-2-methoxypyrimidine
DKB65031-01	Methyl 2,6-dichloro-5-methoxypyrimidine-4-carboxylate
RHC42232-01	2-Bromo-4-chloro-5-methoxypyrimidine
HCA05493-01	5-Bromo-4-chloro-2-methoxypyrimidine
JCD89764-01	2-Bromo-5-fluoro-4-methoxypyrimidine
GAA96455-01	4-Amino-2-methoxypyrimidine-5-carbonitrile
FF23404-01	5-Fluoro-4-hydroxy-2-methoxypyrimidine
PEA96990-01	5-Bromo-4-methoxypyrimidine-2-carbonitrile
UIA91513-01	5-Iodo-4-methoxypyrimidine

Catalog	Name
272009-01	2,4-Dichloro-5-methoxypyrimidine
OR932533-01	2,5-Dichloro-4-methoxypyrimidine
433797-01	4,6-Dichloro-5-methoxypyrimidine
OR1046075-01	4,5-Dichloro-6-methoxypyrimidine
OR1048530-01	2,4-Dichloro-6-methoxypyrimidine-5-carbaldehyde
271984-01	4,6-Dichloro-2-methoxypyrimidine
abx181643-01	2,4-Dichloro-6-methoxypyrimidine
OR1074943-01	Methyl 2,6-dichloro-5-methoxypyrimidine-4-carboxylate
420484-01	2,5-Dibromo-4-methoxypyrimidine
sc-268094	5-Methoxypyrimidine-2,4-dione