2-Chloro-5-Decylpyrimidine

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CAS Number

170434-06-7

Synonyms

2-chloro-5-decylpyrimidine

Purity

99%

Smiles

CCCCCCCCCCC1=CN=C(N=C1)Cl

Chemical Information

2-Chloro-5-decylpyrimidine

CAS Number	170434-06-7
PubChem CID	22099083
IUPAC Name	2-chloro-5-decylpyrimidine
Molecular Formula	C14H23ClN2
Molecular Weight	254.80
XLogP	6.3
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Heavy Atom Count	17
Formal Charge	0
Complexity	168

SMILES

CCCCCCCCCCC1=CN=C(N=C1)Cl

InChI

InChI=1S/C14H23ClN2/c1-2-3-4-5-6-7-8-9-10-13-11-16-14(15)17-12-13/h11-12H,2-10H2,1H3

InChIKey

LJRSECCCAXFYFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 170434-06-7

CID: 22099083

Formula: C14H23ClN2

MW: 254.80

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.80
XLogP3	6.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	254.1549764
Monoisotopic Mass	254.1549764
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	168
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

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