AG001MPY

1505662-44-1 | Benzoic acid, 3-acetyl-4-fluoro-

AG001MPY

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CAS Number	1505662-44-1
Catalog Number	AG001MPY(AGN-PC-0WRADU)
Chemical Name	Benzoic acid, 3-acetyl-4-fluoro-
IUPAC Name	3-acetyl-4-fluorobenzoic acid
InChI	InChI=1S/C9H7FO3/c1-5(11)7-4-6(9(12)13)2-3-8(7)10/h2-4H,1H3,(H,12,13)
InChI Key	RDQMOHIQAIRPQX-UHFFFAOYSA-N
MDL Number	MFCD22493249
Molecular Formula	C9H7FO3
Molecular Weight	182.1485
SMILES	O=C(O)C1=CC=C(F)C(C(C)=O)=C1
Synonyms	3-acetyl-4-fluorobenzoic acid, 1505662-44-1, SCHEMBL8639693, Benzoic acid, 3-acetyl-4-fluoro-, MFCD22493249, ZINC75844373, AS-46355,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.15g/mol
Monoisotopic Mass	182.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H320-H335
Packing Group	\N
Precautionary statements	P264-P270-P301+P312-P330
UN Code	\N

Certificate of Analysis

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