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1196156-95-2 | Pyrimidine, 5-chloro-2-ethynyl-
CAS No: 1196156-95-2 Catalog No: AG000PCF MDL No:MFCD13189795
Product Description
Catalog Number:
AG000PCF
Chemical Name:
Pyrimidine, 5-chloro-2-ethynyl-
CAS Number:
1196156-95-2
Molecular Formula:
C6H3ClN2
Molecular Weight:
138.5544
MDL Number:
MFCD13189795
IUPAC Name:
5-chloro-2-ethynylpyrimidine
InChI:
InChI=1S/C6H3ClN2/c1-2-6-8-3-5(7)4-9-6/h1,3-4H
InChI Key:
LTPMEHQKKDZOOH-UHFFFAOYSA-N
SMILES:
C#Cc1ncc(cn1)Cl
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.998g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.554g/mol
Monoisotopic Mass:
137.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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