AG00129O

13671-00-6 | Benzoic acid, 2,6-difluoro-, methyl ester

AG00129O

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CAS Number	13671-00-6
Catalog Number	AG00129O(AGN-PC-0JS8KB)
Chemical Name	Benzoic acid, 2,6-difluoro-, methyl ester
IUPAC Name	methyl 2,6-difluorobenzoate
InChI	InChI=1S/C8H6F2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChI Key	QNPFLTKQLFSKBY-UHFFFAOYSA-N
MDL Number	MFCD00051778
Molecular Formula	C8H6F2O2
Molecular Weight	172.1288
SMILES	O=C(OC)C1=C(F)C=CC=C1F
Synonyms	Methyl 2,6-difluorobenzoate, 13671-00-6, Benzoic acid, 2,6-difluoro-, methyl ester, QNPFLTKQLFSKBY-UHFFFAOYSA-N, MFCD00051778, 2,6-Difluorobenzoic acid methyl ester, 2,6-Difluorobenzoic acid, methyl ester, ACMC-1BXYV, AC1LAR75, KSC494G7R, SCHEMBL1070351, CTK3J4378, DTXSID10333831, METHYL2,6-DIFLUOROBENZOATE, ZINC167042, CS-M0553, Methyl 2,6-difluorobenzoate, 97%, ANW-20169, SBB064031, STK427196, AKOS003306038, MCULE-5384665412, PS-8665, RTR-004905, TRA0051887, 2-(Methoxycarbonyl)-1,3-difluorobenzene, AC-26956, AJ-16571, AK-58617, CJ-02347, SC-24138, SY023175, ZB008720, AB0021173, DB-012849, TR-004905, FT-0610649, ST24030882, ST50407988, V2413, MFCD00051778 (95%), TL800742098, B-3233, I01-3732, J-006894, C8H6F2O2, CID518798, Methyl 2,6-difluorobenzoate, 98% - 25G 25g,

Complexity	162
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	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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