AG003FYC

2991-28-8 | 2,5-Difluorobenzoic acid

AG003FYC

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CAS Number	2991-28-8
Catalog Number	AG003FYC(AGN-PC-0JLPYM)
Chemical Name	2,5-Difluorobenzoic acid
EC Number	221-060-6
IUPAC Name	2,5-difluorobenzoic acid
InChI	InChI=1S/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI Key	LBQMIAVIGLLBGW-UHFFFAOYSA-N
MDL Number	MFCD00002410
Molecular Formula	C7H4F2O2
Molecular Weight	158.1023
NSC Number	190310
SMILES	O=C(O)C1=CC(F)=CC=C1F
Synonyms	2,5-Difluorobenzoic acid, 2991-28-8, Benzoic acid, 2,5-difluoro-, 2,5-Difluorobenzoicacid, 2,5-difluoro-benzoic acid, MFCD00002410, LBQMIAVIGLLBGW-UHFFFAOYSA-N, EINECS 221-060-6, NSC190310, PubChem4935, 2,5-Difluorobenzic acid, ACMC-1CJ4A, AC1L2QP2, AC1Q72BO, KSC206G1B, SCHEMBL115334, RARECHEM AL BO 0019, 2,5-Difluorobenzoic acid 98%, CTK1A6310, LBQMIAVIGLLBGW-UHFFFAOYSA-, DTXSID30184024, 2,5-Difluorobenzoic acid, 98%, ZINC407107, ACT11998, BCP24598, EBD37050, JRD-0042, KS-00000CM4, ANW-26731, BBL011835, CD-372, SBB063429, STK802570, WT1626, AKOS000122998, AC-3949, AS00859, BS-3868, CM12658, CS-W020593, LF10804, LS11164, MCULE-4244861678, NSC-190310, RP22161, RTC-062260, TRA0072776, VZ22751, 2991-28-8 2,5-difluorobenzoic acid, AJ-22606, AK-29107, AN-12430, BR-29107, SC-03246, SY009582, AB0011182, DB-023877, TC-062260, TL8002324, A5533, AM20040130, D1699, FT-0084630, FT-0610351, ST24032295, ST50824667, MFCD00002410 (98%), S-1756, 991D288, I01-1666, W-106966, InChI=1/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11), qvr bf ef, 2,5-difluorobenzoate, 2,4-Difluorobenzoicacid, C7H4F2O2, C7-H4-F2-O2, CID76339, AR-1L3003, ACN-053253, 2,5-Difluorobenzoic acid, 98% - 1G 1g, 1583-58-0, 307-63-1,

Complexity	161
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	1.8

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

Lot Number