AG003IGY

455-86-7 | 3,4-Difluorobenzoic acid

AG003IGY

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CAS Number	455-86-7
Catalog Number	AG003IGY(AGN-PC-0JM3GL)
Chemical Name	3,4-Difluorobenzoic acid
EC Number	207-249-6
IUPAC Name	3,4-difluorobenzoic acid
InChI	InChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChI Key	FPENCTDAQQQKNY-UHFFFAOYSA-N
MDL Number	MFCD00011672
Molecular Formula	C7H4F2O2
Molecular Weight	158.1023
NSC Number	190686
SMILES	C1=C(C=CC(=C1F)F)C(O)=O
Synonyms	3,4-Difluorobenzoic acid, 455-86-7, Benzoic acid, 3,4-difluoro-, MFCD00011672, FPENCTDAQQQKNY-UHFFFAOYSA-N, EINECS 207-249-6, 3,4-Dichloropnenol, NSC190686, PubChem1337, 3,4-fifluorobenzoic acid, ACMC-209k3h, 3,4-difluoro-benzoic acid, AC1L40PD, AC1Q73BG, SCHEMBL27151, KSC237G8T, AC1Q730Y, RARECHEM AL BO 0269, CTK1D7389, KS-00000CGX, TIMTEC-BB SBB006721, DTXSID60196539, 3,4-Difluorobenzoic acid, 98%, JRD-0041, ZINC2243279, ANW-30315, BBL011833, SBB006721, STK802568, AKOS000121204, AC-6252, AN-1830, AS00851, BS-3870, CM12108, CS-W009127, LS11167, MCULE-3928548738, NSC 190686, NSC-190686, RP22162, RTC-062259, TRA0047210, AJ-34270, AK-47373, BR-47373, SC-04667, SY005367, AB0011829, AB1005538, DB-021885, ST2417240, TC-062259, TL8003167, AM20040508, D1908, FT-0614279, ST50824666, EN300-18968, Q-8885, MFCD00011672 (97+%), 3,4-Difluorobenzoic acid, purum, >=98.0% (T), 455D867, AN-652/40227387, I01-0015, Q-200340, F0001-1233, InChI=1/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11, null, qvr cf df, 3,4-Difluorobenzoicacid, C7H4F2O2, C7-H4-F2-O2, CID99166, AR-1L3012, ACN-056542, 3,4-Difluorobenzoic acid, 98% - 100G 100g, 455-40-3, 489-56-5,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number