AG002CA6

199682-73-0 | 1H-Pyrazole-4-carboxaldehyde, 3-(4-methoxyphenyl)-

AG002CA6

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CAS Number	199682-73-0
Catalog Number	AG002CA6(AGN-PC-0O6XY2)
Chemical Name	1H-Pyrazole-4-carboxaldehyde, 3-(4-methoxyphenyl)-
IUPAC Name	5-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
InChI	InChI=1S/C11H10N2O2/c1-15-10-4-2-8(3-5-10)11-9(7-14)6-12-13-11/h2-7H,1H3,(H,12,13)
InChI Key	QSGGFCPKXTULQQ-UHFFFAOYSA-N
MDL Number	MFCD01133696
Molecular Formula	C11H10N2O2
Molecular Weight	202.2093
SMILES	O=CC1=C(C2=CC=C(OC)C=C2)NN=C1
Synonyms	3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde, 199682-73-0, 5-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde, QSGGFCPKXTULQQ-UHFFFAOYSA-N, MFCD01133696, 3-(4-METHOXYPHENYL)-1H-PYRAZOLE-4-CARBOXALDEHYDE, 3-(4-methoxyphenyl)pyrazole-4-carbaldehyde, ZERO/005191, AC1LEJVM, AC1Q4ATL, CBMicro_017678, Cambridge id 6132430, MLS000572316, SCHEMBL1336717, CHEMBL1369938, CTK4E2863, DTXSID20353207, HMS2517I06, ALBB-000186, KS-00002Y8C, 6731AD, BBL011654, CCG-14275, SBB006793, STK154326, ZINC18254894, AKOS000112330, AKOS001476738, AB08344, MCULE-6118840773, RTR-043149, BAS 08768138, BP-11205, SMR000194277, BIM-0017912.P001, AB0116435, DB-015093, ST4105079, TR-043149, BB 0219859, BB 0249024, FT-0613686, H8822, EN300-24713, K-5840, 10P-136, 3-(4-Methoxy-phenyl)-1H-pyrazole-4-carbaldehyde, 1H-Pyrazole-4-carbaldehyde, 3-(4-methoxyphenyl)-, 3-(4-Methoxy-phenyl)-1H-pyrazole-4-carbald ehyde, 5-(4-Methoxy-phenyl)-1H-pyrazole-4-carbald ehyde, 1H-Pyrazole-4-carboxaldehyde, 3-(4-methoxyphenyl)-, I14-108626, 3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR, 5-(4-Methoxyphenyl)-1H-pyrazole-4-carbaldehyde, AldrichCPR, C11H10N2O2, CID737224, 6132-43-0,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.213g/mol
Monoisotopic Mass	202.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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