2-Chloro-4-methoxy-5-pyrimidinemethanol

CAT: 0127-OR86594-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR86594-01Size:100 mg

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CAS Number

1591828-63-5

MDL Number

MFCD29761488

Purity

=95%

Smiles

OCC1=CN=C(Cl)N=C1OC

Chemical Information

(2-Chloro-4-methoxypyrimidin-5-yl)methanol

CAS Number	1591828-63-5
PubChem CID	86715293
IUPAC Name	(2-chloro-4-methoxypyrimidin-5-yl)methanol
Molecular Formula	C6H7ClN2O2
Molecular Weight	174.58
XLogP	0.6
Topological Polar Surface Area	55.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	125

SMILES

COC1=NC(=NC=C1CO)Cl

InChI

InChI=1S/C6H7ClN2O2/c1-11-5-4(3-10)2-8-6(7)9-5/h2,10H,3H2,1H3

InChIKey

BNGQKOFIIMUHQD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1591828-63-5

CID: 86715293

Formula: C6H7ClN2O2

MW: 174.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.58
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	174.0196052
Monoisotopic Mass	174.0196052
Topological Polar Surface Area	55.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	125
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
OR1033837-01	5-Chloro-2-pyrimidinemethanol
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OR1046455-01	2-Chloro-4-methoxy-5-methylpyridine
OR1040854-01	4-Chloro-2-methoxy-5-methylpyrimidine
OR1081095	2-Chloro-5-methoxy-4-pyridinecarbonitrile
OR76835-01	2-Chloro-4-methoxy-5-nitropyrimidine
OR926836-01	2-Chloro-5-methoxy-4-pyrimidinamine
OR83195-01	4-Chloro-2-methoxy-5-nitropyridine
OR921813-01	4-Chloro-2-methoxy-5-methylaniline

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