AG003L45

50329-91-4 | 4-Chloro-2-oxo-2H-chromene-3-carbaldehyde

AG003L45

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CAS Number	50329-91-4
Catalog Number	AG003L45(AGN-PC-0JVOX2)
Chemical Name	4-Chloro-2-oxo-2H-chromene-3-carbaldehyde
IUPAC Name	4-chloro-2-oxochromene-3-carbaldehyde
InChI	InChI=1S/C10H5ClO3/c11-9-6-3-1-2-4-8(6)14-10(13)7(9)5-12/h1-5H
InChI Key	CLLLQUGVEQADNN-UHFFFAOYSA-N
MDL Number	MFCD00179896
Molecular Formula	C10H5ClO3
Molecular Weight	208.5979
SMILES	ClC1=C(C=O)C(=O)OC2=CC=CC=C12
Synonyms	4-chloro-2-oxo-2h-chromene-3-carbaldehyde, 50329-91-4, 4-chloro-2-oxochromene-3-carbaldehyde, AC1LEKMU, ACMC-20a3tw, 4-Chloro-3-formylcoumarin, chlorooxochromenecarbaldehyde, AC1Q3H9K, SCHEMBL5273182, CTK4J2449, DTXSID20353262, 4-Chloro-3-formylcoumarin, 97%, ZINC168150, 6898AB, ANW-55890, MFCD00179896, SBB003464, STL100279, AKOS002676253, MCULE-2825294986, NE26218, RP12143, KS-00001U43, AJ-16787, ZB008912, 3-Formyl-4-chloro-2H-1-benzopyran-2-one, TR-017990, FT-0680167, 1W-0258, 4-Chloro-2-oxo-2H-1-benzopyran-3-carboxaldehyde, 2H-1-Benzopyran-3-carboxaldehyde,4-chloro-2-oxo-, J-514982, I14-28251, C10H5ClO3, AR-1G1596, CID737580, ZINC00168150, 5069-95-4,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.993g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.597g/mol
Monoisotopic Mass	207.993g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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