AG00H2VL

871571-29-8 | 3-Methyl-4-(trifluoromethyl)benzoic acid

AG00H2VL

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CAS Number	871571-29-8
Catalog Number	AG00H2VL(AGN-PC-0H2CQ4)
Chemical Name	3-Methyl-4-(trifluoromethyl)benzoic acid
IUPAC Name	3-methyl-4-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C9H7F3O2/c1-5-4-6(8(13)14)2-3-7(5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChI Key	HTFFMPNQGJHNCD-UHFFFAOYSA-N
MDL Number	MFCD13185723
Molecular Formula	C9H7F3O2
Molecular Weight	204.1459
SMILES	O=C(O)C1=CC=C(C(F)(F)F)C(C)=C1
Synonyms	3-METHYL-4-(TRIFLUOROMETHYL)BENZOIC ACID, 871571-29-8, SCHEMBL312837, HTFFMPNQGJHNCD-UHFFFAOYSA-N, MFCD13185723, TD1007, ZINC91305207, AKOS024262463, 3-Methyl-4-trifluoromethylbenzoic acid, 3-Methyl-4-trifluoromethyl-benzoic acid, KS-000019P2, AC-28671, AM805990, AS-54698, AJ-130415, CS-0039125, ST24042321,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.148g/mol
Monoisotopic Mass	204.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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