AG003J7I

1186663-52-4 | 3-Chloro-4-(1H-pyrazol-1-yl)benzaldehyde

AG003J7I

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CAS Number	1186663-52-4
Catalog Number	AG003J7I(AGN-PC-09SGGJ)
Chemical Name	3-Chloro-4-(1H-pyrazol-1-yl)benzaldehyde
IUPAC Name	3-chloro-4-pyrazol-1-ylbenzaldehyde
InChI	InChI=1S/C10H7ClN2O/c11-9-6-8(7-14)2-3-10(9)13-5-1-4-12-13/h1-7H
InChI Key	NEGUYXDHYGIYGW-UHFFFAOYSA-N
MDL Number	MFCD11656795
Molecular Formula	C10H7ClN2O
Molecular Weight	206.6284
SMILES	O=CC1=CC=C(N2N=CC=C2)C(Cl)=C1
Synonyms	1186663-52-4, 3-CHLORO-4-(1H-PYRAZOL-1-YL)BENZALDEHYDE, 3-Chloro-4-(1-pyrazolyl)benzaldehyde, CTK7H9212, KS-00000AYZ, DTXSID20693897, 3-chloro-4-pyrazol-1-ylbenzaldehyde, MFCD11656795, ZINC42684246, AKOS015904204, TRA0045646, AS-31540, SY004800, AB0064157, AB1000226, AJ-104480, DB-014439, TC-307417, CS-0055103, FT-0729747, Z7937, K-1320, MFCD11656795 (97+%), I14-17448, null, C10H7ClN2O, 3760-52-9,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.025g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.629g/mol
Monoisotopic Mass	206.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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