AG008BSN

885521-37-9 | 6-Chloro-1H-indazole-3-carbaldehyde

AG008BSN

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CAS Number	885521-37-9
Catalog Number	AG008BSN(AGN-PC-0WAMWT)
Chemical Name	6-Chloro-1H-indazole-3-carbaldehyde
IUPAC Name	6-chloro-2H-indazole-3-carbaldehyde
InChI	InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-11-8(6)4-12/h1-4H,(H,10,11)
InChI Key	YQELBDVPJNKBAP-UHFFFAOYSA-N
MDL Number	MFCD07781580
Molecular Formula	C8H5ClN2O
Molecular Weight	180.5911
SMILES	C(=O)c1c2c([nH]n1)cc(cc2)Cl
Synonyms	6-Chloro-1H-indazole-3-carbaldehyde, 885521-37-9, 6-chloro-2H-indazole-3-carbaldehyde, AK-80960, 6-Chloro-1H-indazole-3-carboxaldehyde, 1H-INDAZOLE-3-CARBOXALDEHYDE, 6-CHLORO-, SCHEMBL5211222, CTK8C2167, DTXSID20622748, YQELBDVPJNKBAP-UHFFFAOYSA-N, ZX-RL001850, 4368AC, ANW-67928, FCH857325, MFCD07781580, ZINC14983405, AKOS006284927, 6-Chloro-3-(1H)indazolecarboxaldehyde, AB42691, 6-Chloro-3-(1H)indazole carboxaldehyde, AJ-65912, DS-16081, OR305084, QC-10710, AB0098218, AX8237853, DB-077971, TC-156673, CS-0043051, FT-0723218, L-1398, C8H5ClN2O,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.009g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.591g/mol
Monoisotopic Mass	180.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^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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