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116526-95-5 | Sulfamic acid, N-(4-butyl-1-naphthalenyl)-, phenyl ester
CAS No: 116526-95-5 Catalog No: AG000COG MDL No:
Product Description
Catalog Number:
AG000COG
Chemical Name:
Sulfamic acid, N-(4-butyl-1-naphthalenyl)-, phenyl ester
CAS Number:
116526-95-5
Molecular Formula:
C20H21NO3S
Molecular Weight:
355.4506
IUPAC Name:
phenyl N-(4-butylnaphthalen-1-yl)sulfamate
InChI:
InChI=1S/C20H21NO3S/c1-2-3-9-16-14-15-20(19-13-8-7-12-18(16)19)21-25(22,23)24-17-10-5-4-6-11-17/h4-8,10-15,21H,2-3,9H2,1H3
InChI Key:
RNPMQICYRCFXTK-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(c2c1cccc2)NS(=O)(=O)Oc1ccccc1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.124g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.452g/mol
Monoisotopic Mass:
355.124g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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