AG003490

947-95-5 | 5-Chloro-3-methyl-1-phenylpyrazole-4-carbaldehyde

AG003490

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CAS Number	947-95-5
Catalog Number	AG003490(AGN-PC-0JTSQI)
Chemical Name	5-Chloro-3-methyl-1-phenylpyrazole-4-carbaldehyde
IUPAC Name	5-chloro-3-methyl-1-phenylpyrazole-4-carbaldehyde
InChI	InChI=1S/C11H9ClN2O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key	DKZPJLZXLKAMDO-UHFFFAOYSA-N
MDL Number	MFCD00100755
Molecular Formula	C11H9ClN2O
Molecular Weight	220.6550
SMILES	CC1=NN(C(Cl)=C1C=O)C1=CC=CC=C1
Synonyms	5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde, 5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde, 947-95-5, 5-chloro-3-methyl-1-phenylpyrazole-4-carbaldehyde, DKZPJLZXLKAMDO-UHFFFAOYSA-N, 5-Chloro-3-methyl-1-phenyl pyrazole-4-alldehyde, MFCD00100755, 5-Chloro-4-formyl-3-methyl-1-phenylpyrazole, 5-Chloro-3-methyl-1-phenyl pyrazole-4-aldehyde, ACMC-20agcp, AC1LD6QJ, AC1Q2PLH, 5-Chloro-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde, SCHEMBL1267498, CTK5H7120, ZINC35783, DTXSID10346527, ALBB-004688, CS-M3111, KS-00001F3D, 6280AC, ANW-72119, BBL008402, KM3314, SBB000598, STK081541, AKOS000265664, MCULE-7840415573, RP12765, AC-11882, AJ-08630, BP-13227, ST005560, ZB000968, AB0004020, TR-050366, FT-0760947, 11G-910, chloro-3-methyl-1-phenylpyrazole-4-carboxaldehyde, 5-chloro-3-methyl-1-phenylpyrazole-4-carboxaldehyde, J-517354, I14-51074, 2-Phenyl-3-chloro-5-methyl-2H-pyrazole-4-carbaldehyde, Pyrazole-4-carboxaldehyde, 5-chloro-3-methyl-1-phenyl-, 1H-Pyrazole-4-carboxaldehyde, 5-chloro-3-methyl-1-phenyl-, 5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde, 5-Chloro-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde, 99%, C11H9ClN2O, CID613027, ZINC00035783, 2807-30-9,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.04g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.656g/mol
Monoisotopic Mass	220.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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