AG001DB4

145689-41-4 | 2-(2,3-Difluorophenyl)acetic acid

AG001DB4

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CAS Number	145689-41-4
Catalog Number	AG001DB4(AGN-PC-0JS9NZ)
Chemical Name	2-(2,3-Difluorophenyl)acetic acid
IUPAC Name	2-(2,3-difluorophenyl)acetic acid
InChI	InChI=1S/C8H6F2O2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12)
InChI Key	UXSQXUSJGPVOKT-UHFFFAOYSA-N
MDL Number	MFCD00040968
Molecular Formula	C8H6F2O2
Molecular Weight	172.1288
SMILES	O=C(O)CC1=CC=CC(F)=C1F
Synonyms	2,3-Difluorophenylacetic acid, 145689-41-4, 2-(2,3-difluorophenyl)acetic acid, (2,3-difluorophenyl)acetic acid, 2,3-Difluorophenylaceticacid, Benzeneacetic acid, 2,3-difluoro-, 2,3-difluorophenyl acetic acid, UXSQXUSJGPVOKT-UHFFFAOYSA-N, 2,3-Difluorophenylacetic acid, 97%, MFCD00040968, 2,3-DIFLUOROBENZENEACETIC ACID, RARECHEM AL BO 0630, PubChem1916, AC1LAUOY, ACMC-1CROT, AC1Q74VH, KSC174I5R, SCHEMBL723768, Jsp002668, RARECHEM AL BO 0941, CTK0H4458, KS-00000CHZ, DTXSID20334455, Benzeneaceticacid, 2,3-difluoro-, (2,3-difluoro-phenyl)acetic acid, (2,3-difluorophenyl)-acetic acid, ZINC409281, ACT00430, BCP27245, JRD-0265, ANW-20956, SBB052776, AKOS005145831, AC-1066, AS00518, AS02171, CS-W002195, MCULE-6188108530, PS-8680, RTC-060009, TF10368, TRA0050701, 2,3-DIFLUORO-2-PHENYLACETIC ACID, AJ-22719, AK-44652, AN-15295, BC205418, BP-12749, BR-44652, SC-70198, SY005482, AB0011699, DB-025310, ST2409263, TC-060009, TL8001009, AM20060800, D3889, FT-0609622, FT-0609623, ST50407004, V5485, A-5767, MFCD00040968 (97+%), 689D414, I01-0941, I01-2393, J-008137, 360-03-2, C8H6F2O2, RARECHEM AL BO 0843, TIMTEC-BB SBB003675, 2,2-difluoro-2-phenylacetic acid, 2-Chloro-4-fluorophenylacetic acid, (2,3-Difluoro-phenyl)-acetic acid, CID520772, LABOTEST-BB LT00441150, LABOTEST-BB LT03381272, MFCD00498146, ACN-050312, 2-(2-chloro-4-fluorophenyl)acetic acid, 2-Chloro-6-fluoro-3-methylphenylacetic acid, A1520, C2954, 2,3-Difluorophenylacetic acid, 98% - 1G 1g, 1099687-03-2,

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	1
Isotope Atom Count	0
Molecular Weight	172.131g/mol
Monoisotopic Mass	172.034g/mol
Rotatable Bond Count	2
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 Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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