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88963-86-4 | 1-Naphthalenesulfonyl chloride, 5-[[2-(acetylamino)ethyl]amino]-
CAS No: 88963-86-4 Catalog No: AG0045X9 MDL No:
Product Description
Catalog Number:
AG0045X9
Chemical Name:
1-Naphthalenesulfonyl chloride, 5-[[2-(acetylamino)ethyl]amino]-
CAS Number:
88963-86-4
Molecular Formula:
C14H15ClN2O3S
Molecular Weight:
326.7985
IUPAC Name:
5-(2-acetamidoethylamino)naphthalene-1-sulfonyl chloride
InChI:
InChI=1S/C14H15ClN2O3S/c1-10(18)16-8-9-17-13-6-2-5-12-11(13)4-3-7-14(12)21(15,19)20/h2-7,17H,8-9H2,1H3,(H,16,18)
InChI Key:
YYMWWYNVWXLXHA-UHFFFAOYSA-N
SMILES:
CC(=O)NCCNc1cccc2c1cccc2S(=O)(=O)Cl
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.049g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.795g/mol
Monoisotopic Mass:
326.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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