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14790-42-2 | Pyrimidine, 4-chloro-2-phenyl-
CAS No: 14790-42-2 Catalog No: AG001FAA MDL No:MFCD00234601
Product Description
Catalog Number:
AG001FAA
Chemical Name:
Pyrimidine, 4-chloro-2-phenyl-
CAS Number:
14790-42-2
Molecular Formula:
C10H7ClN2
Molecular Weight:
190.6290
MDL Number:
MFCD00234601
IUPAC Name:
4-chloro-2-phenylpyrimidine
InChI:
InChI=1S/C10H7ClN2/c11-9-6-7-12-10(13-9)8-4-2-1-3-5-8/h1-7H
InChI Key:
RDLQLVAVVVLVEW-UHFFFAOYSA-N
SMILES:
Clc1ccnc(n1)c1ccccc1
NSC Number:
88809
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
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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