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114209-77-7 | Benzenesulfonyl azide, 4-(acetylamino)-5-methoxy-2-methyl-
CAS No: 114209-77-7 Catalog No: AG000ATH MDL No:
Product Description
Catalog Number:
AG000ATH
Chemical Name:
Benzenesulfonyl azide, 4-(acetylamino)-5-methoxy-2-methyl-
CAS Number:
114209-77-7
Molecular Formula:
C10H12N4O4S
Molecular Weight:
284.2917
IUPAC Name:
N-(4-azidosulfonyl-2-methoxy-5-methylphenyl)acetamide
InChI:
InChI=1S/C10H12N4O4S/c1-6-4-8(12-7(2)15)9(18-3)5-10(6)19(16,17)14-13-11/h4-5H,1-3H3,(H,12,15)
InChI Key:
HGRKXBADDWNZRD-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NS(=O)(=O)c1cc(OC)c(cc1C)NC(=O)C
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.29g/mol
Monoisotopic Mass:
284.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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