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88963-83-1 | 1,3,6-Naphthalenetrisulfonyl trichloride, 8-(acetylamino)-
CAS No: 88963-83-1 Catalog No: AG0045XB MDL No:
Product Description
Catalog Number:
AG0045XB
Chemical Name:
1,3,6-Naphthalenetrisulfonyl trichloride, 8-(acetylamino)-
CAS Number:
88963-83-1
Molecular Formula:
C12H8Cl3NO7S3
Molecular Weight:
480.7484
IUPAC Name:
8-acetamidonaphthalene-1,3,6-trisulfonyl chloride
InChI:
InChI=1S/C12H8Cl3NO7S3/c1-6(17)16-10-4-8(24(13,18)19)2-7-3-9(25(14,20)21)5-11(12(7)10)26(15,22)23/h2-5H,1H3,(H,16,17)
InChI Key:
UWTAVAGAAKOQGU-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)Cl)S(=O)(=O)Cl)S(=O)(=O)Cl
Properties
Complexity:
871
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.853g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
480.726g/mol
Monoisotopic Mass:
478.853g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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