AG0027OG

18355-74-3 | Benzoic acid, 2,3-difluoro-, methyl ester

AG0027OG

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CAS Number	18355-74-3
Catalog Number	AG0027OG(AGN-PC-0KL1ZI)
Chemical Name	Benzoic acid, 2,3-difluoro-, methyl ester
IUPAC Name	methyl 2,3-difluorobenzoate
InChI	InChI=1S/C8H6F2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3
InChI Key	FMTHVBOWAILEFZ-UHFFFAOYSA-N
MDL Number	MFCD06203674
Molecular Formula	C8H6F2O2
Molecular Weight	172.1288
SMILES	O=C(OC)C1=CC=CC(F)=C1F
Synonyms	methyl 2,3-difluorobenzoate, 18355-74-3, Benzoic acid, difluoro-, methyl ester, Benzoic acid, 2,3-difluoro-, methyl ester, AC1MD3CY, ACMC-1C72S, SCHEMBL1340852, methyl 2,3-difluorobenzoic acid, CTK1B4369, KS-00000ZLB, FMTHVBOWAILEFZ-UHFFFAOYSA-N, ANW-23160, MFCD06203674, SBB088594, ZINC15444589, AKOS005258000, 2,3-difluoro-benzoic acid methyl ester, AJ-67546, CJ-15159, PS-11670, SC-66410, Benzoic acid,2,3-difluoro-, methyl ester, TL8001475, TR-008464, 4CH-002451, FT-0714933, V3940, B-7525, I01-11639, 390747-43-0, C8H6F2O2, METHYL2,3-DIFLUOROBENZOATE, CID2782927,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.034g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.131g/mol
Monoisotopic Mass	172.034g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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