AG003B92

878001-20-8 | 2-Methyl-3-(trifluoromethyl)benzaldehyde

AG003B92

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CAS Number	878001-20-8
Catalog Number	AG003B92(AGN-PC-0KZ3VP)
Chemical Name	2-Methyl-3-(trifluoromethyl)benzaldehyde
IUPAC Name	2-methyl-3-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C9H7F3O/c1-6-7(5-13)3-2-4-8(6)9(10,11)12/h2-5H,1H3
InChI Key	CUQHTBQRXZCFTC-UHFFFAOYSA-N
MDL Number	MFCD04116032
Molecular Formula	C9H7F3O
Molecular Weight	188.1465
SMILES	CC1=C(C=O)C=CC=C1C(F)(F)F
Synonyms	2-methyl-3-(trifluoromethyl)benzaldehyde, 878001-20-8, 2-METHYL-3-TRIFLUOROMETHYLBENZALDEHYDE, MFCD04116032, AK-81435, Benzaldehyde, 2-methyl-3-(trifluoromethyl)-, AC1MW6DO, KSC496K1R, SCHEMBL735425, CTK3J6518, DTXSID50395473, CUQHTBQRXZCFTC-UHFFFAOYSA-N, ACT09647, JRD-1652, ZINC2528414, ZX-AP010424, 3978AC, ANW-58521, CL8291, SBB090714, AKOS015956846, FCH1119843, PC49261, 2-Methyl-3-trifluoromethyl-benzaldehyde, KS-000011I9, AJ-38278, AS-46010, CJ-09025, SC-66384, AX8219131, RT-003063, FT-0691769, ST24040835, 2-Methyl-3-(trifluoromethyl)benzaldehyde, AldrichCPR, C9H7F3O, 2-METHYL-3- BENZALDEHYDE, ACN-055670, CID3719148, 2174-64-3,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.045g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.149g/mol
Monoisotopic Mass	188.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H317-H319-H411
Packing Group	Ⅲ
Precautionary statements	P273-P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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