AG003K7G

4837-20-1 | 4-(Difluoromethoxy)benzoic acid

AG003K7G

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CAS Number	4837-20-1
Catalog Number	AG003K7G(AGN-PC-0JVOT7)
Chemical Name	4-(Difluoromethoxy)benzoic acid
IUPAC Name	4-(difluoromethoxy)benzoic acid
InChI	InChI=1S/C8H6F2O3/c9-8(10)13-6-3-1-5(2-4-6)7(11)12/h1-4,8H,(H,11,12)
InChI Key	BSNNYLYELGBSBA-UHFFFAOYSA-N
MDL Number	MFCD00221454
Molecular Formula	C8H6F2O3
Molecular Weight	188.1282
SMILES	O=C(O)C1=CC=C(OC(F)F)C=C1
Synonyms	4-(Difluoromethoxy)benzoic acid, 4837-20-1, 4-Difluoromethoxy-benzoic acid, Benzoic acid, 4-(difluoromethoxy)-, MFCD00221454, PubChem3933, AC1LEK6O, ACMC-20a19a, AC1Q73FG, 4-difluoromethoxybenzoic acid, AK-968/13278120, 4-difluoromethoxy benzoic acid, p-(difluoromethoxy)benzoic acid, SCHEMBL1018588, CTK1D8596, KS-00000MBM, DTXSID70353232, BSNNYLYELGBSBA-UHFFFAOYSA-N, HMS1763K06, ZINC167196, alpha,alpha-Difluoro-p-anisic Acid, ALBB-000308, BCP20506, JRD-0460, 4 - Difluoromethoxy - benzoic acid, 4-[(Difluoromethyl)oxy]benzoic acid, ANW-52556, CK1061, RW3406, SBB003678, STK299276, AKOS000104680, 4-(Difluoromethoxy)benzoic acid, 98%, AN-5840, CS-W016829, MCULE-8938324796, QC-2044, RTR-017684, TRA0091781, VZ27886, AJ-16618, AK-35299, AS-18835, EN001717, SC-77112, AB0030601, DB-051548, TR-017684, D4762, FT-0084751, FT-0602315, ST24043080, ST45061332, X2809, Z-0133, 143983-EP2287165A2, 143983-EP2287166A2, 143983-EP2292620A2, F1575-0123, qvr doyff, 4- BENZOICACID, C8H6F2O3, AR-1L3016, CID737360, 4-(Difluoromethoxy)benzoic acid, 98% - 1G 1g, 4929-97-9,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.029g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	188.13g/mol
Monoisotopic Mass	188.029g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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

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