AG000SEP

1262419-96-4 | Methyl 2-fluoro-3-formylbenzoate

AG000SEP

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CAS Number	1262419-96-4
Catalog Number	AG000SEP(AGN-PC-0WRA3A)
Chemical Name	Methyl 2-fluoro-3-formylbenzoate
IUPAC Name	methyl 2-fluoro-3-formylbenzoate
InChI	InChI=1S/C9H7FO3/c1-13-9(12)7-4-2-3-6(5-11)8(7)10/h2-5H,1H3
InChI Key	NIMOWSMVLXMDSE-UHFFFAOYSA-N
MDL Number	MFCD24447977
Molecular Formula	C9H7FO3
Molecular Weight	182.1485
SMILES	O=C(OC)C1=CC=CC(C=O)=C1F
Synonyms	methyl 2-fluoro-3-formylbenzoate, 1262419-96-4, SCHEMBL1060103, NIMOWSMVLXMDSE-UHFFFAOYSA-N, MFCD24447977, ZINC115140243, AS-46423, Benzoic acid, 2-fluoro-3-formyl-, methyl ester,

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	P261-P280-P305+P351+P338-P304+P340-P405
UN Code

Certificate of Analysis

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