AG001ZPD

17449-48-8 | 1,3-Benzenedicarboxylic acid, 5-fluoro-, 1,3-dimethyl ester

AG001ZPD

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CAS Number	17449-48-8
Catalog Number	AG001ZPD(AGN-PC-0L4EGD)
Chemical Name	1,3-Benzenedicarboxylic acid, 5-fluoro-, 1,3-dimethyl ester
IUPAC Name	dimethyl 5-fluorobenzene-1,3-dicarboxylate
InChI	InChI=1S/C10H9FO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3
InChI Key	XEOLLJWHFPBAMQ-UHFFFAOYSA-N
MDL Number	MFCD00230549
Molecular Formula	C10H9FO4
Molecular Weight	212.1745
SMILES	O=C(OC)C1=CC(F)=CC(C(OC)=O)=C1
Synonyms	DIMETHYL 5-FLUOROISOPHTHALATE, 17449-48-8, 5-fluoro-isophthalic acid dimethyl ester, Dimethyl 5-fluorobenzene-1,3-dicarboxylate, 5-Fluoroisophthalic acid dimethylester, AK-63238, 1,3-Benzenedicarboxylic acid, 5-fluoro-, 1,3-dimethyl ester, AC1N2IF5, SCHEMBL1401499, CTK4D4999, DTXSID30398745, XEOLLJWHFPBAMQ-UHFFFAOYSA-N, ZINC393335, KS-00000IN3, 6608AJ, MFCD00230549, AKOS015888174, 5-Fluoroisophthalic acid dimethyl ester, MCULE-4804894889, ACM17449488, AJ-21277, DS-15207, SC-23860, SY005349, AX8174095, DB-018107, TC-308116, FT-0712047, W-2372, MFCD00230549 (97+%), I01-10057, C10H9FO4, CID4047226, 21739-93-5,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.048g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.176g/mol
Monoisotopic Mass	212.048g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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