AG00394D

736990-88-8 | 3,5-difluoro-4-formylbenzoic acid

AG00394D

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CAS Number	736990-88-8
Catalog Number	AG00394D(AGN-PC-07A7UJ)
Chemical Name	3,5-difluoro-4-formylbenzoic acid
IUPAC Name	3,5-difluoro-4-formylbenzoic acid
InChI	InChI=1S/C8H4F2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-3H,(H,12,13)
InChI Key	FRAXEZGWRAVEIK-UHFFFAOYSA-N
MDL Number	MFCD09835188
Molecular Formula	C8H4F2O3
Molecular Weight	186.1124
SMILES	FC=1C=C(C(=O)O)C=C(C1C=O)F
Synonyms	3,5-difluoro-4-formylbenzoic acid, 736990-88-8, 4-CARBOXY-2,6-DIFLUOROBENZALDEHYDE, PubChem4180, SCHEMBL1813635, CTK7H8144, KS-00000QWN, DTXSID50662819, FRAXEZGWRAVEIK-UHFFFAOYSA-N, 3,5-difluoro-4-formyl-benzoic acid, MFCD09835188, ZINC39953720, AKOS006327503, AS04491, DS-5166, Benzoic acid, 3,5-difluoro-4-formyl-, AK135760, AN-27528, SC-82360, AJ-101381, DB-074727, FT-0692005, 3,5-bis(fluoranyl)-4-methanoyl-benzoic acid, A837898,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.013g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.114g/mol
Monoisotopic Mass	186.013g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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

Lot Number