AG007AX2

1093865-65-6 | Methyl 4-fluoro-3-formylbenzoate

AG007AX2

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CAS Number	1093865-65-6
Catalog Number	AG007AX2(AGN-PC-09RZWO)
Chemical Name	Methyl 4-fluoro-3-formylbenzoate
IUPAC Name	methyl 4-fluoro-3-formylbenzoate
InChI	InChI=1S/C9H7FO3/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-5H,1H3
InChI Key	VJWHOSFTDOXSAS-UHFFFAOYSA-N
MDL Number	MFCD16036861
Molecular Formula	C9H7FO3
Molecular Weight	182.1485
SMILES	O=C(OC)C1=CC=C(F)C(C=O)=C1
Synonyms	METHYL 4-FLUORO-3-FORMYLBENZOATE, 1093865-65-6, METHYL 3-FORMYL-4-FLUOROBENZOATE, 4-Fluoro-3-formylbenzoic acid methyl ester, SCHEMBL459873, ACMC-20992w, CTK8A9202, DTXSID80697533, VJWHOSFTDOXSAS-UHFFFAOYSA-N, BCP14106, ANW-16038, CL8554, MFCD16036861, ZINC75844334, AKOS015998879, AS-46049, SC-37286, AJ-121997, ST2407251, TC-104783, 4-fluoro-3-formyl-benzoic acid methyl ester, FT-0687126, X8918, K-0645, C9H7FO3, 2-AMINO-3,5-DIFLUOROBENZONITRILE,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.15g/mol
Monoisotopic Mass	182.038g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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