AG004XCL

864068-96-2 | 1-Methyl-3-phenyl-1H-pyrazole-5-carbaldehyde

AG004XCL

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CAS Number	864068-96-2
Catalog Number	AG004XCL(AGN-PC-0M0OQD)
Chemical Name	1-Methyl-3-phenyl-1H-pyrazole-5-carbaldehyde
IUPAC Name	2-methyl-5-phenylpyrazole-3-carbaldehyde
InChI	InChI=1S/C11H10N2O/c1-13-10(8-14)7-11(12-13)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key	XFGHBJQGDDYIKS-UHFFFAOYSA-N
MDL Number	MFCD08271941
Molecular Formula	C11H10N2O
Molecular Weight	186.2099
SMILES	O=CC1=CC(C2=CC=CC=C2)=NN1C
Synonyms	1-methyl-3-phenyl-1H-pyrazole-5-carbaldehyde, 864068-96-2, 2-methyl-5-phenylpyrazole-3-carbaldehyde, 1-methyl-3-phenylpyrazole-5-carbaldehyde, AC1ONMIE, 2-Methyl-5-phenyl-2H-pyrazole-3-carbaldehyde, SCHEMBL15094678, CTK5F6606, KS-00000MBV, DTXSID10428771, ZINC5177732, ANW-54180, MFCD08271941, SBB073618, STL411798, AKOS005169540, MCULE-1921433515, MP-0753, PS-6170, 5-Formyl-1-methyl-3-phenyl-1H-pyrazole, AJ-53489, AK101073, CJ-12498, DB-076617, ST2415415, TC-142925, 4CH-014586, FT-0709406, ST45256112, Y5591, 1H-Pyrazole-5-carboxaldehyde,1-methyl-3-phenyl-, I14-90851, F8881-6599, 1-methyl-3-phenyl-1H-pyrazole-5-carbaldehyde, AldrichCPR, C11H10N2O, ZINC05177732, CID7537629,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.214g/mol
Monoisotopic Mass	186.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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