Home Other Building Blocks 1017791-37-5
1017791-37-5,MFCD09972061
Catalog No.:AA0005GZ
1017791-37-5 | 4-Acetyl-3,4-dihydro-2h-1,4-benzoxazine-6-sulfonyl chloride
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1g
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$294.00   $206.00
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Technical Information
Catalog Number:
AA0005GZ
Chemical Name:
4-Acetyl-3,4-dihydro-2h-1,4-benzoxazine-6-sulfonyl chloride
CAS Number:
1017791-37-5
Molecular Formula:
C10H10ClNO4S
Molecular Weight:
275.7087
MDL Number:
MFCD09972061
IUPAC Name:
4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride
InChI:
InChI=1S/C10H10ClNO4S/c1-7(13)12-4-5-16-10-3-2-8(6-9(10)12)17(11,14)15/h2-3,6H,4-5H2,1H3
InChI Key:
ABMZXQIJEDEIAB-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCOc2c1cc(cc2)S(=O)(=O)Cl
Properties
Computed Properties
 
Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.002g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.703g/mol
Monoisotopic Mass:
275.002g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
1017791-37-5 
4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride 
ABMZXQIJEDEIAB-UHFFFAOYSA-N 
ALBB-005133 
ZX-AN005074 
ZX-CM006796 
7450AC 
MFCD09972061 
STK501597 
ZINC59114985 
AKOS005171395 
MCULE-3806819824 
4-acetyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonyl chloride 
RS-0387 
BB 0260272 
FT-0678588 
A12488 
Y-6247 
I01-13143 
2H-1,4-Benzoxazine-6-sulfonyl chloride, 4-acetyl-3,4-dihydro- 
(4-methoxybenzyl)(4-nitrobenzyl)amine hydrobromide 
4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride 
4-acetyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-sulfonylchloride 
C10H10ClNO4S 
SCHEMBL15882783 
CTK4A0254 
KS-00003RKC 
DTXSID20649238 
Literature
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