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Home > Aldehydes > 198084-12-7
198084-12-7 | Benzaldehyde, 4-(5-pyrimidinyl)-
CAS No: 198084-12-7 Catalog No: AG002B9Z MDL No:MFCD02684108
Product Description
Catalog Number:
AG002B9Z
Chemical Name:
Benzaldehyde, 4-(5-pyrimidinyl)-
CAS Number:
198084-12-7
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD02684108
IUPAC Name:
4-pyrimidin-5-ylbenzaldehyde
InChI:
InChI=1S/C11H8N2O/c14-7-9-1-3-10(4-2-9)11-5-12-8-13-6-11/h1-8H
InChI Key:
BXNXTOLXLPQMHS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cncnc1
Properties
Complexity:
182
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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