AG002B9Z

198084-12-7 | Benzaldehyde, 4-(5-pyrimidinyl)-

AG002B9Z

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CAS Number	198084-12-7
Catalog Number	AG002B9Z(AGN-PC-0L15U2)
Chemical Name	Benzaldehyde, 4-(5-pyrimidinyl)-
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
MDL Number	MFCD02684108
Molecular Formula	C11H8N2O
Molecular Weight	184.1940
SMILES	C2=C(C1=CN=CN=C1)C=CC(=C2)C=O
Synonyms	198084-12-7, 4-(Pyrimidin-5-yl)benzaldehyde, 4-Pyrimidin-5-yl-benzaldehyde, 4-(5-Pyrimidinyl)benzaldehyde, 4-Pyrimidin-5-ylbenzaldehyde, 5-(4-Formylphenyl)pyrimidine, Benzaldehyde, 4-(5-pyrimidinyl)-, AC1MYRM7, AC1Q6PTD, ACMC-1C5PN, SCHEMBL1124024, 4-(5-pyrimidinyl)-benzaldehyde, 4-pyrimidin- 5-yl-benzaldehyde, CTK0I4094, DTXSID80397501, BXNXTOLXLPQMHS-UHFFFAOYSA-N, 4PNL-P35-0, ZINC2583842, ANW-51036, AR2039, MFCD02684108, SBB090164, 5-(4-Formylphenyl)pyrimidine, 97%, AKOS004117306, PS-3595, RP03352, RTR-009194, VZ27848, KS-0000189E, AJ-43295, BR-17910, HC210207, AB0023190, DB-001657, TR-009194, 4CH-007420, AM20050578, BB 0222965, FT-0643843, ST24028833, W4197, S-2595, W-206462, F9995-2607, C11H8N2O, (4-pyrimidin-5-ylphenyl)methanol, ZINC02583842, CID3861212,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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