AG00DBSI

467442-12-2 | T-butyl 4-formyl-3,5-difluorobenzoate

AG00DBSI

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CAS Number	467442-12-2
Catalog Number	AG00DBSI(AGN-PC-0WAMH8)
Chemical Name	T-butyl 4-formyl-3,5-difluorobenzoate
IUPAC Name	tert-butyl 3,5-difluoro-4-formylbenzoate
InChI	InChI=1S/C12H12F2O3/c1-12(2,3)17-11(16)7-4-9(13)8(6-15)10(14)5-7/h4-6H,1-3H3
InChI Key	AZIZOEBUVZHPOJ-UHFFFAOYSA-N
MDL Number	MFCD11975649
Molecular Formula	C12H12F2O3
Molecular Weight	242.2187
SMILES	O=C(OC(C)(C)C)C1=CC(F)=C(C=O)C(F)=C1
Synonyms	TERT-BUTYL 3,5-DIFLUORO-4-FORMYLBENZOATE, 467442-12-2, T-butyl 4-formyl-3,5-difluorobenzoate, 3,5-Difluoro-4-formyl-benzoic acid tert-butyl ester, PubChem16463, SCHEMBL603151, DTXSID90620216, AZIZOEBUVZHPOJ-UHFFFAOYSA-N, ACT09745, MFCD11975649, ZINC75629548, AKOS027254557, LS10104, AK205057, DS-10394, tert-butyl 4-formyl-3,5-difluorobenzoate, AB0075060, AX8266674, X-2174,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.075g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.222g/mol
Monoisotopic Mass	242.075g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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