AG002SHA

262587-06-4 | 3-(Difluoromethoxy)phenylacetic acid

AG002SHA

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CAS Number	262587-06-4
Catalog Number	AG002SHA(AGN-PC-0WANNH)
Chemical Name	3-(Difluoromethoxy)phenylacetic acid
IUPAC Name	2-[3-(difluoromethoxy)phenyl]acetic acid
InChI	InChI=1S/C9H8F2O3/c10-9(11)14-7-3-1-2-6(4-7)5-8(12)13/h1-4,9H,5H2,(H,12,13)
InChI Key	FCKUTXMFTNGMNV-UHFFFAOYSA-N
MDL Number	MFCD00236238
Molecular Formula	C9H8F2O3
Molecular Weight	202.1548
SMILES	OC(CC1=CC(OC(F)F)=CC=C1)=O
Synonyms	262587-06-4, 2-[3-(difluoromethoxy)phenyl]acetic Acid, 2-(3-(Difluoromethoxy)phenyl)acetic acid, 3-(Difluoromethoxy)phenylacetic acid, [3-(difluoromethoxy)phenyl]acetic acid, AC1MCNZ5, AC1Q74WY, SCHEMBL15042279, CTK7B7486, KS-00000ZYL, DTXSID00378897, ZINC2560139, MFCD00236238, SBB092875, AKOS008105168, MCULE-4699783207, PS-8189, AJ-40474, Benzeneacetic acid, 3-(difluoromethoxy)-, 3-(Carboxymethyl)-alpha,alpha-difluoroanisole, EN300-70745, K-6818, Z1259273083, ACN-050594, CID2774126, 2-(3-(Difluoromethoxy)phenyl)aceticacid,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.044g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.157g/mol
Monoisotopic Mass	202.044g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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