AG00IBBH

640769-71-7 | Benzaldehyde, 2-(5-pyrimidinyl)-

AG00IBBH

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CAS Number	640769-71-7
Catalog Number	AG00IBBH(AGN-PC-0L0CS4)
Chemical Name	Benzaldehyde, 2-(5-pyrimidinyl)-
IUPAC Name	2-pyrimidin-5-ylbenzaldehyde
InChI	InChI=1S/C11H8N2O/c14-7-9-3-1-2-4-11(9)10-5-12-8-13-6-10/h1-8H
InChI Key	JPSJBEALHNYNBL-UHFFFAOYSA-N
MDL Number	MFCD02684096
Molecular Formula	C11H8N2O
Molecular Weight	184.1940
SMILES	C2=NC=C(C1=CC=CC=C1C=O)C=N2
Synonyms	640769-71-7, 2-(pyrimidin-5-yl)benzaldehyde, 2-(5-Pyrimidinyl)benzaldehyde, 2-Pyrimidin-5-yl-benzaldehyde, 2-Pyrimidin-5-ylbenzaldehyde, Benzaldehyde,2-(5-pyrimidinyl)-, PubChem4083, AC1Q6PVA, SCHEMBL612568, AC1MX064, CTK5C0653, DTXSID20396710, JPSJBEALHNYNBL-UHFFFAOYSA-N, 2PNL-P35-0, Benzaldehyde, 2-(5-pyrimidinyl)-, ZINC2583835, ANW-51615, AR1226, CP-524, MFCD02684096, SBB067488, AKOS004117397, RTR-021992, VZ23234, AJ-43288, AK-17909, AN-27839, BC676072, BR-17909, DS-10178, HC210208, 2-(5-Pyrimidinyl)benzaldehyde, AldrichCPR, AB0026008, DB-001564, TR-021992, 4CH-007417, BB 0222977, FT-0602380, ST24027664, W7588, S-2442, 769P717, A834635, I14-3688, C11H8N2O, ZINC02583835, CID3807860,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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