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13036-50-5 | Pyrimidine, 2-chloro-4-phenyl-
CAS No: 13036-50-5 Catalog No: AG000UB5 MDL No:MFCD00234600
Product Description
Catalog Number:
AG000UB5
Chemical Name:
Pyrimidine, 2-chloro-4-phenyl-
CAS Number:
13036-50-5
Molecular Formula:
C10H7ClN2
Molecular Weight:
190.6290
MDL Number:
MFCD00234600
IUPAC Name:
2-chloro-4-phenylpyrimidine
InChI:
InChI=1S/C10H7ClN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H
InChI Key:
AAZYJKNISGEWEV-UHFFFAOYSA-N
SMILES:
Clc1nccc(n1)c1ccccc1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.63g/mol
Monoisotopic Mass:
190.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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