AG007IES

329-20-4 | 4-(Acetylamino)benzenesulfonyl fluoride

AG007IES

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CAS Number	329-20-4
Catalog Number	AG007IES(AGN-PC-0JL7WY)
Chemical Name	4-(Acetylamino)benzenesulfonyl fluoride
EC Number	206-343-4
IUPAC Name	4-acetamidobenzenesulfonyl fluoride
InChI	InChI=1S/C8H8FNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)
InChI Key	HRQHLUBMODFETM-UHFFFAOYSA-N
MDL Number	MFCD00024859
Molecular Formula	C8H8FNO3S
Molecular Weight	217.2174
NSC Number	30636
SMILES	CC(NC1=CC=C(S(F)(=O)=O)C=C1)=O
Synonyms	329-20-4, 4-acetamidobenzene-1-sulfonyl fluoride, Benzenesulfonyl fluoride, 4-(acetylamino)-, Sulfanilyl fluoride, N-acetyl-, 4-acetamidobenzenesulfonyl fluoride, Benzenesulfonylfluoride, 4-(acetylamino)-, p-Acetamidobenzenesulphonyl fluoride, EINECS 206-343-4, NSC 30636, AC1Q6YNA, AC1L27XB, SCHEMBL6124925, DTXSID1059818, CTK1C2473, HRQHLUBMODFETM-UHFFFAOYSA-N, N-ACETYLSULFANILYL FLUORIDE, p-acetamidobenzenesulfonyl fluoride, NSC30636, NSC-30636, AKOS023552896, ZINC100064555, 4-(Acetylamino)benzenesulfonyl fluoride, MCULE-1541367629, NE20710, VS-0006, 4-(Acetylamino)benzenesulfonyl fluoride, 95%, Z1737263906, C8H8FNO3S, C8-H8-F-N-O3-S, CID67608, AR-1G0332, 33825-81-9,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.021g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.214g/mol
Monoisotopic Mass	217.021g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	71.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

Lot Number