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102489-71-4 | L-Methionine, N-[[(2-chloroethyl)nitrosoamino]carbonyl]-, methyl ester
CAS No: 102489-71-4 Catalog No: AG0007KV MDL No:
Product Description
Catalog Number:
AG0007KV
Chemical Name:
L-Methionine, N-[[(2-chloroethyl)nitrosoamino]carbonyl]-, methyl ester
CAS Number:
102489-71-4
Molecular Formula:
C9H16ClN3O4S
Molecular Weight:
297.7590
IUPAC Name:
methyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-methylsulfanylbutanoate
InChI:
InChI=1S/C9H16ClN3O4S/c1-17-8(14)7(3-6-18-2)11-9(15)13(12-16)5-4-10/h7H,3-6H2,1-2H3,(H,11,15)/t7-/m0/s1
InChI Key:
BEVSZOWNFMWZGE-ZETCQYMHSA-N
SMILES:
CSCC[C@@H](C(=O)OC)NC(=O)N(CCCl)N=O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.754g/mol
Monoisotopic Mass:
297.055g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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