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73987-44-7

73987-44-7 | 7-nitro-1,2,3,4-tetrahydroquinoline sulfate(1:1)

CAS No: 73987-44-7 Catalog No: AG005AFS MDL No:

Product Description

Catalog Number:
AG005AFS
Chemical Name:
7-nitro-1,2,3,4-tetrahydroquinoline sulfate(1:1)
CAS Number:
73987-44-7
Molecular Formula:
C9H12N2O6S
Molecular Weight:
276.2664
IUPAC Name:
7-nitro-1,2,3,4-tetrahydroquinoline;sulfuric acid
InChI:
InChI=1S/C9H10N2O2.H2O4S/c12-11(13)8-4-3-7-2-1-5-10-9(7)6-8;1-5(2,3)4/h3-4,6,10H,1-2,5H2;(H2,1,2,3,4)
InChI Key:
VBHCWROSOWPTFQ-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.[O-][N+](=O)c1ccc2c(c1)NCCC2
NSC Number:
74531

Properties

Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.042g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
276.263g/mol
Monoisotopic Mass:
276.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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