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Home > Nitro Compounds > 162149-69-1
162149-69-1 | D-Methionine, N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-
CAS No: 162149-69-1 Catalog No: AG001SSU MDL No:
Product Description
Catalog Number:
AG001SSU
Chemical Name:
D-Methionine, N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-
CAS Number:
162149-69-1
Molecular Formula:
C11H12N4O5S
Molecular Weight:
312.3018
IUPAC Name:
(2R)-4-methylsulfanyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]butanoic acid
InChI:
InChI=1S/C11H12N4O5S/c1-21-5-4-7(11(16)17)12-6-2-3-8(15(18)19)10-9(6)13-20-14-10/h2-3,7,12H,4-5H2,1H3,(H,16,17)/t7-/m1/s1
InChI Key:
PECRLASIPWXZRS-SSDOTTSWSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1non2)N[C@@H](C(=O)O)CCSC
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
312.053g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.3g/mol
Monoisotopic Mass:
312.053g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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