AG000X10

127406-08-0 | Benzaldehyde, 4-(2-pyrazinyl)-

AG000X10

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CAS Number	127406-08-0
Catalog Number	AG000X10(AGN-PC-0L10KD)
Chemical Name	Benzaldehyde, 4-(2-pyrazinyl)-
IUPAC Name	4-pyrazin-2-ylbenzaldehyde
InChI	InChI=1S/C11H8N2O/c14-8-9-1-3-10(4-2-9)11-7-12-5-6-13-11/h1-8H
InChI Key	QEJFDPPZUXABRM-UHFFFAOYSA-N
MDL Number	MFCD02684109
Molecular Formula	C11H8N2O
Molecular Weight	184.1940
SMILES	O=CC1=CC=C(C=C1)C1=CN=CC=N1
Synonyms	4-(Pyrazin-2-yl)benzaldehyde, 127406-08-0, 4-Pyrazin-2-ylbenzaldehyde, 4-(2-Pyrazinyl)benzenecarbaldehyde, Benzaldehyde, 4-pyrazinyl-, 4-(Pyrazin-2-yl)benzenecarboxaldehyde, 4-pyrazinylbenzaldehyde, pyrazinylbenzenecarbaldehyde, AC1MYA51, SCHEMBL6750, ACMC-1C01U, 4-(2-pyrazinyl)benzaldehyde, 4-pyrazin-2-yl-benzaldehyde, JSPY-st000047, JSPY-st000100, JSPY-st000202, CTK0F6393, DTXSID70397353, Benzaldehyde, 4-(2-pyrazinyl)-, QEJFDPPZUXABRM-UHFFFAOYSA-N, 4PNL-P25-0, KS-00001Z0U, ZINC2583843, 5339AA, ANW-74175, AR2036, MFCD02684109, SBB090161, AKOS005070834, RP11003, RTR-003940, AJ-43296, AK-80213, 4-(pyrazin-2-yl)benzaldehyde, AldrichCPR, TR-003940, FT-0680545, C-4242, 6Z-0709, J-513833, I14-16625, C11H8N2O, CID3853519,

Complexity	188
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	0.9

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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