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Home > Aldehydes > 263349-22-0
263349-22-0 | Benzaldehyde, 3-(2-pyrimidinyl)-
CAS No: 263349-22-0 Catalog No: AG002SST MDL No:MFCD08056283
Product Description
Catalog Number:
AG002SST
Chemical Name:
Benzaldehyde, 3-(2-pyrimidinyl)-
CAS Number:
263349-22-0
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD08056283
IUPAC Name:
3-pyrimidin-2-ylbenzaldehyde
InChI:
InChI=1S/C11H8N2O/c14-8-9-3-1-4-10(7-9)11-12-5-2-6-13-11/h1-8H
InChI Key:
ZBAZYPXXIVHUFO-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1ncccn1
Properties
Complexity:
190
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:
1.3
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