AG00331K

385-00-2 | 2,6-Difluorobenzoic acid

AG00331K

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CAS Number	385-00-2
Catalog Number	AG00331K(AGN-PC-0JK99B)
Chemical Name	2,6-Difluorobenzoic acid
EC Number	206-856-3
IUPAC Name	2,6-difluorobenzoic acid
InChI	InChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChI Key	ONOTYLMNTZNAQZ-UHFFFAOYSA-N
MDL Number	MFCD00002411
Molecular Formula	C7H4F2O2
Molecular Weight	158.1023
NSC Number	126584
SMILES	FC1=C(C(=O)O)C(=CC=C1)F
Synonyms	2,6-difluorobenzoate, 2,6-difluorobenzoate calcium dihydrate, 2,6-difluorobenzoic acid, 2,6-DIFLUOROBENZOIC ACID, 385-00-2, Benzoic acid, 2,6-difluoro-, 2,6-Difluorobenzoicacid, BRN 0973774, EINECS 206-856-3, MFCD00002411, 2,6-difluoro-benzoic acid, NSC 126584, AI3-63060, ONOTYLMNTZNAQZ-UHFFFAOYSA-N, 2,6-difluoro benzoic acid, NSC126584, PubChem2274, AC1L1TUA, Benzoic acid,6-difluoro-, ACMC-209j0h, 2,6,-difluorobenzoic acid, AC1Q72BS, 3-09-00-01330 (Beilstein Handbook Reference), KSC223C7L, SCHEMBL260553, BEN582, Jsp006738, RARECHEM AL BO 0020, DTXSID7075391, CTK1C3175, KS-00000CCS, 2,6-Difluorobenzoic acid, 98%, WT029, ZINC164540, CS-M0554, ANW-28911, BBL011908, SBB063129, STK802604, TD1186, AKOS000119515, 385-00-2 2,6-difluorobenzoic acid, AC-2898, AM62241, AS00819, BS-3869, CM12659, LF10818, MCULE-2366720632, NSC-126584, RL03469, RP22160, RTC-062261, TRA0073000, VZ22928, AJ-16202, AK-25893, AN-13494, LS-36968, SC-04047, SY003297, TL806244, AB0008269, DB-015928, ST2409208, TC-062261, D1629, FT-0610648, ST50213952, MFCD00002411 (98%), L-1131, Y16031, 80459-EP2272848A1, 80459-EP2305250A1, I01-0510, Q-200211, F2191-0055, Z256708094, InChI=1/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11, qvr bf ff, 4-Fluorobenzonitrile, 1-NAPHTHYL PP1, C7H4F2O2, CID9796, C7-H4-F2-O2, AR-1L3004, A1489, 2,6-Difluorobenzoic acid, 98% - 100G 100g, 1186-10-3, 1194-02-1, 221243-82-9, 4042-62-0,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.018g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.104g/mol
Monoisotopic Mass	158.018g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335-H412
Precuationary statements	P261-P273-P305+P351+P338
Siginal words	normal

Certificate of Analysis

Lot Number