2-Chloro-4-ethynylpyrimidine

CAT: 0926-MBA96869-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-MBA96869-01Size:50 mg

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

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CAS Number

37968-69-7

MDL Number

MFCD13189793

Smiles

C#CC1=NC (=NC=C1) Cl

Molecular Formula

C6H3ClN2

Molecular Weight

138.55 g/mol

Controlled

Chemical Information

2-Chloro-4-ethynylpyrimidine

CAS Number	37968-69-7
PubChem CID	45080366
IUPAC Name	2-chloro-4-ethynylpyrimidine
Molecular Formula	C6H3ClN2
Molecular Weight	138.55
XLogP	1.4
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	137

SMILES

C#CC1=NC(=NC=C1)Cl

InChI

InChI=1S/C6H3ClN2/c1-2-5-3-4-8-6(7)9-5/h1,3-4H

InChIKey

VXDNUKMWRNCQLT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37968-69-7

CID: 45080366

Formula: C6H3ClN2

MW: 138.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.55
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	137.9984758
Monoisotopic Mass	137.9984758
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	137
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
WXB15698-01	4-Chloro-2-ethynylpyrimidine
WXB15689-01	2-chloro-5-ethynylpyrimidine
FE144150-01	2-Ethynylpyrimidine
PAA33151-01	4-chloro-2-ethylpyrimidine
NHA70799-01	2-Chloro-4-ethylpyrimidine
NE44302-01	5-Ethynylpyrimidine
JBD31371-01	6-Chloro-2-ethylpyrimidine-4-carbonitrile
EFC10940-01	3-Chloro-4-ethynylpyridine
RFA60225-01	4-Chloro-6-ethylpyrimidine
WXB14503-01	4-Chloro-3-ethynylpyridine

Catalog	Name
JH84635	4-chloro-2-ethynylpyrimidine
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OR904484-01	2-Ethynylpyrimidine
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TRC-B684830-500MG	2-Bromo-5-ethynylpyrimidine
OR904282-01	5-Ethynylpyrimidine
PC1017447-01	2-Chloro-4- (4-chloro-2-fluorophenyl) pyridine
OR1089289-01	2-Chloro-4- (2-chloro-4-methoxyphenyl) pyridine