AG000LEM

124014-00-2 | 5-(3-Chloro-4-methoxyphenyl)furfural

AG000LEM

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CAS Number	124014-00-2
Catalog Number	AG000LEM(AGN-PC-0PHPV1)
Chemical Name	5-(3-Chloro-4-methoxyphenyl)furfural
IUPAC Name	5-(3-chloro-4-methoxyphenyl)furan-2-carbaldehyde
InChI	InChI=1S/C12H9ClO3/c1-15-12-4-2-8(6-10(12)13)11-5-3-9(7-14)16-11/h2-7H,1H3
InChI Key	ZPFXNBOOLWTXFB-UHFFFAOYSA-N
MDL Number	MFCD00582198
Molecular Formula	C12H9ClO3
Molecular Weight	236.6511
SMILES	COC1=C(Cl)C=C(C2OC(C=O)=CC=2)C=C1
Synonyms	5-(3-Chloro-4-methoxyphenyl)furfural, 124014-00-2, 5-(3-chloro-4-methoxyphenyl)furan-2-carbaldehyde, 5-(3-chloro-4-methoxyphenyl)-2-furaldehyde, AC1LERAA, ACMC-20am9g, SCHEMBL1116276, CTK4B3720, ZINC61814, DTXSID90351114, BBL023022, GEO-02918, MFCD00582198, STK071685, AKOS000113414, MCULE-4275964513, AJ-09946, RT-020662, ST4022255, T7362, 5-(3-Chloro-4-methoxyphenyl)furfural, 97%, SR-01000078543, 5-(3-CHLORO-4-METHOXYPHENYL)FURFURAL 9&, J-005023, SR-01000078543-1, 2-Furancarboxaldehyde, 5-(3-chloro-4-methoxyphenyl)-, 2-Furancarboxaldehyde,5-(3-chloro-4-methoxyphenyl)-, I14-50944, A1023/0047904, CID691086, ZINC00061814,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.024g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.651g/mol
Monoisotopic Mass	236.024g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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