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Home > Nitro Compounds > 137718-44-6
137718-44-6 | Glycine, N-methyl-N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-
CAS No: 137718-44-6 Catalog No: AG0013R6 MDL No:MFCD12074316
Product Description
Catalog Number:
AG0013R6
Chemical Name:
Glycine, N-methyl-N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-
CAS Number:
137718-44-6
Molecular Formula:
C9H8N4O5
Molecular Weight:
252.1836
MDL Number:
MFCD12074316
IUPAC Name:
2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetic acid
InChI:
InChI=1S/C9H8N4O5/c1-12(4-7(14)15)5-2-3-6(13(16)17)9-8(5)10-18-11-9/h2-3H,4H2,1H3,(H,14,15)
InChI Key:
XBHNLSIPHANFSD-UHFFFAOYSA-N
SMILES:
OC(=O)CN(c1ccc(c2c1non2)[N+](=O)[O-])C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
252.186g/mol
Monoisotopic Mass:
252.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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