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68027-80-5 | Phenyl(pyrimidin-4-yl);methanone
CAS No: 68027-80-5 Catalog No: AG006GEE MDL No:MFCD13193451
Product Description
Catalog Number:
AG006GEE
Chemical Name:
Phenyl(pyrimidin-4-yl);methanone
CAS Number:
68027-80-5
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD13193451
IUPAC Name:
phenyl(pyrimidin-4-yl)methanone
InChI:
InChI=1S/C11H8N2O/c14-11(9-4-2-1-3-5-9)10-6-7-12-8-13-10/h1-8H
InChI Key:
VJPPUSSPWUGUEM-UHFFFAOYSA-N
SMILES:
O=C(c1ccncn1)c1ccccc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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