AG003LDM

914636-50-3 | 4-FLUORO-3-(METHYLSULFONYL)BENZALDEHYDE

AG003LDM

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CAS Number	914636-50-3
Catalog Number	AG003LDM(AGN-PC-03E1MB)
Chemical Name	4-FLUORO-3-(METHYLSULFONYL)BENZALDEHYDE
IUPAC Name	4-fluoro-3-methylsulfonylbenzaldehyde
InChI	InChI=1S/C8H7FO3S/c1-13(11,12)8-4-6(5-10)2-3-7(8)9/h2-5H,1H3
InChI Key	FDMWHGMGGVHVLM-UHFFFAOYSA-N
MDL Number	MFCD08458083
Molecular Formula	C8H7FO3S
Molecular Weight	202.2028
SMILES	O=CC1=CC=C(F)C(S(=O)(C)=O)=C1
Synonyms	4-fluoro-3-(methylsulfonyl)benzaldehyde, 914636-50-3, 4-Fluoro-3-(methylsulphonyl)benzaldehyde, 4-fluoro-3-methylsulfonylbenzaldehyde, 4-fluoro-3-methanesulfonylbenzaldehyde, SCHEMBL7754930, CTK7H9317, KS-00000AZR, DTXSID30616613, ZX-AP010691, 6165AJ, KM3016, MFCD08458083, SBB092907, ZINC16158663, AKOS015888172, FCH1327553, TRA0071109, 4-Fluoro-3-(methanesulfonyl)benzaldehyde, AJ-68561, AS-31856, SY006895, AB1000826, AX8173856, DB-079047, TC-307688, FT-0721917, MFCD08458083 (97+%), I01-10050, null, C8H7FO3S, 198348-89-9,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.01g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	202.199g/mol
Monoisotopic Mass	202.01g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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