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1245652-84-9 | Pyrimidine, 4-chloro-2-(2-phenylethenyl)-
CAS No: 1245652-84-9 Catalog No: AG000MDV MDL No:
Product Description
Catalog Number:
AG000MDV
Chemical Name:
Pyrimidine, 4-chloro-2-(2-phenylethenyl)-
CAS Number:
1245652-84-9
Molecular Formula:
C12H9ClN2
Molecular Weight:
216.6663
IUPAC Name:
4-chloro-2-[(E)-2-phenylethenyl]pyrimidine
InChI:
InChI=1S/C12H9ClN2/c13-11-8-9-14-12(15-11)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+
InChI Key:
CRIXQQZQGJHEDL-VOTSOKGWSA-N
SMILES:
Clc1ccnc(n1)C=Cc1ccccc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
216.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.668g/mol
Monoisotopic Mass:
216.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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