AG000PJ3

1197193-11-5 | Benzaldehyde, 2-fluoro-4-(methylsulfonyl)-

AG000PJ3

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CAS Number	1197193-11-5
Catalog Number	AG000PJ3(AGN-PC-09SGAW)
Chemical Name	Benzaldehyde, 2-fluoro-4-(methylsulfonyl)-
IUPAC Name	2-fluoro-4-methylsulfonylbenzaldehyde
InChI	InChI=1S/C8H7FO3S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChI Key	LXWRYLZWVVZZCM-UHFFFAOYSA-N
MDL Number	MFCD13191594
Molecular Formula	C8H7FO3S
Molecular Weight	202.2028
SMILES	O=CC1=CC=C(S(=O)(C)=O)C=C1F
Synonyms	2-FLUORO-4-(METHYLSULFONYL)BENZALDEHYDE, 1197193-11-5, SCHEMBL16878248, CTK8E1745, KS-00000AZJ, MFCD13191594, ZINC42684443, 2-fluoro-4-methanesulfonylbenzaldehyde, AKOS015891536, TRA0077662, AS-31530, SY006888, AB0064249, AB1000819, AJ-104584, DB-061615, TC-307098, Benzaldehyde, 2-fluoro-4-(methylsulfonyl)-, FT-0769030, Z8112, K-1389, MFCD13191594 (95+%), I01-9997, null, C8H7FO3S, 356058-13-4,

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	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

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