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Home > Nitro Compounds > 64917-85-7
64917-85-7 | nitrobenzoxadiazolealanine
CAS No: 64917-85-7 Catalog No: AG00F7CH MDL No:
Product Description
Catalog Number:
AG00F7CH
Chemical Name:
nitrobenzoxadiazolealanine
CAS Number:
64917-85-7
IUPAC Name:
(2S)-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid
InChI:
InChI=1S/C9H8N4O5/c1-4(9(14)15)10-5-2-3-6(13(16)17)8-7(5)11-18-12-8/h2-4,10H,1H3,(H,14,15)/t4-/m0/s1
InChI Key:
KWAIYUDRTUOOPG-BYPYZUCNSA-N
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
252.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.186g/mol
Monoisotopic Mass:
252.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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