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89407-83-0 | 1,2-Propanediol, 3,3'-[(3-chloro-5-nitro-2,6-pyrazinediyl)diimino]bis-
CAS No: 89407-83-0 Catalog No: AG003VSK MDL No:
Product Description
Catalog Number:
AG003VSK
Chemical Name:
1,2-Propanediol, 3,3'-[(3-chloro-5-nitro-2,6-pyrazinediyl)diimino]bis-
CAS Number:
89407-83-0
Molecular Formula:
C10H16ClN5O6
Molecular Weight:
337.7169
IUPAC Name:
3-[[5-chloro-6-(2,3-dihydroxypropylamino)-3-nitropyrazin-2-yl]amino]propane-1,2-diol
InChI:
InChI=1S/C10H16ClN5O6/c11-7-8(12-1-5(19)3-17)15-9(10(14-7)16(21)22)13-2-6(20)4-18/h5-6,17-20H,1-4H2,(H2,12,13,15)
InChI Key:
WWQJHGRUGCUFLC-UHFFFAOYSA-N
SMILES:
OCC(CNc1nc(NCC(CO)O)c(nc1Cl)[N+](=O)[O-])O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
337.717g/mol
Monoisotopic Mass:
337.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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