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116058-86-7 | Pyrimidine, 2-chloro-4-(2-propen-1-yl)-
CAS No: 116058-86-7 Catalog No: AG000BIX MDL No:
Product Description
Catalog Number:
AG000BIX
Chemical Name:
Pyrimidine, 2-chloro-4-(2-propen-1-yl)-
CAS Number:
116058-86-7
Molecular Formula:
C7H7ClN2
Molecular Weight:
154.5969
IUPAC Name:
2-chloro-4-prop-2-enylpyrimidine
InChI:
InChI=1S/C7H7ClN2/c1-2-3-6-4-5-9-7(8)10-6/h2,4-5H,1,3H2
InChI Key:
GWDPYQZJSBHGQS-UHFFFAOYSA-N
SMILES:
Clc1nc(CC=C)ccn1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.597g/mol
Monoisotopic Mass:
154.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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