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1245643-27-9 | PyriMidine, 2-chloro-4-(3-pyridinylMethyl)-
CAS No: 1245643-27-9 Catalog No: AG000M8A MDL No:
Product Description
Catalog Number:
AG000M8A
Chemical Name:
PyriMidine, 2-chloro-4-(3-pyridinylMethyl)-
CAS Number:
1245643-27-9
Molecular Formula:
C10H8ClN3
Molecular Weight:
205.6436
IUPAC Name:
2-chloro-4-(pyridin-3-ylmethyl)pyrimidine
InChI:
InChI=1S/C10H8ClN3/c11-10-13-5-3-9(14-10)6-8-2-1-4-12-7-8/h1-5,7H,6H2
InChI Key:
NKYCEVZRVCRKJY-UHFFFAOYSA-N
SMILES:
Clc1nccc(n1)Cc1cccnc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.645g/mol
Monoisotopic Mass:
205.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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