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139183-69-0 | Hexanoyl azide, 6-[(4-chloro-3-hydroxy-2-nitrobenzoyl)amino]-
CAS No: 139183-69-0 Catalog No: AG001AFQ MDL No:
Product Description
Catalog Number:
AG001AFQ
Chemical Name:
Hexanoyl azide, 6-[(4-chloro-3-hydroxy-2-nitrobenzoyl)amino]-
CAS Number:
139183-69-0
Molecular Formula:
C13H14ClN5O5
Molecular Weight:
355.7338
IUPAC Name:
6-[(4-chloro-3-hydroxy-2-nitrobenzoyl)amino]hexanoyl azide
InChI:
InChI=1S/C13H14ClN5O5/c14-9-6-5-8(11(12(9)21)19(23)24)13(22)16-7-3-1-2-4-10(20)17-18-15/h5-6,21H,1-4,7H2,(H,16,22)
InChI Key:
TYVAYSBXTJUTQH-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(=O)CCCCCNC(=O)c1ccc(c(c1[N+](=O)[O-])O)Cl
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.068g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.735g/mol
Monoisotopic Mass:
355.068g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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