AG000XG5

127842-54-0 | Benzaldehyde, 3,4-bis(difluoromethoxy)-

AG000XG5

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CAS Number	127842-54-0
Catalog Number	AG000XG5(AGN-PC-001KED)
Chemical Name	Benzaldehyde, 3,4-bis(difluoromethoxy)-
IUPAC Name	3,4-bis(difluoromethoxy)benzaldehyde
InChI	InChI=1S/C9H6F4O3/c10-8(11)15-6-2-1-5(4-14)3-7(6)16-9(12)13/h1-4,8-9H
InChI Key	IPHURZAZBKLMQJ-UHFFFAOYSA-N
MDL Number	MFCD08706075
Molecular Formula	C9H6F4O3
Molecular Weight	238.1358
SMILES	O=CC1=CC=C(OC(F)F)C(OC(F)F)=C1
Synonyms	3,4-BIS(DIFLUOROMETHOXY)BENZALDEHYDE, 127842-54-0, 3,4-Bis-difluoromethoxy-benzaldehyde, 3,4-Bis-difluoromethoxybenzaldehyde, Benzaldehyde, 3,4-bis(difluoromethoxy)-, AK-94374, PubChem22247, KSC914C4H, SCHEMBL140841, CTK8B4143, DTXSID40561105, IPHURZAZBKLMQJ-UHFFFAOYSA-N, 3,4-Bisdifluoromethoxybenzaldehyde, ZX-AP009973, ANW-44032, CB0094, CL8294, MFCD08706075, ZINC15042189, AKOS015969250, AS04447, PC49211, TRA0029785, KS-00000B39, AC-28483, AJ-67145, AS-18812, CJ-15072, FS000742, SY028767, AB0030504, AX8231709, DB-062615, RT-002846, 4CH-000267, CS-0028734, FT-0761347, ST24022451, X2702, A23460, Z-3795, MFCD08706075 (95+%), C9H6F4O3, ACN-055696, 3,4-Bis-difluoromethoxy-benzaldehyde - 1G 1g,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.025g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.138g/mol
Monoisotopic Mass	238.025g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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