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Home > Nitro Compounds > 138403-43-7
138403-43-7 | 1,4,7,10,13,16-Hexaazacyclooctadecane, 2-[(4-nitrophenyl)methyl]-
CAS No: 138403-43-7 Catalog No: AG0018Q2 MDL No:
Product Description
Catalog Number:
AG0018Q2
Chemical Name:
1,4,7,10,13,16-Hexaazacyclooctadecane, 2-[(4-nitrophenyl)methyl]-
CAS Number:
138403-43-7
Molecular Formula:
C19H35N7O2
Molecular Weight:
393.5269
IUPAC Name:
2-[(4-nitrophenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane
InChI:
InChI=1S/C19H35N7O2/c27-26(28)19-3-1-17(2-4-19)15-18-16-24-12-11-22-8-7-20-5-6-21-9-10-23-13-14-25-18/h1-4,18,20-25H,5-16H2
InChI Key:
HZBUWPCWKRUWSE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CC1CNCCNCCNCCNCCNCCN1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.285g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
393.536g/mol
Monoisotopic Mass:
393.285g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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