Home Aminos methyl 2-[(2-nitrothiophen-3-yl)amino]acetate

methyl 2-[(2-nitrothiophen-3-yl)amino]acetate

CAS No.:
1858496-58-8
Catalog Number:
AG01C30N
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
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Product Description
Catalog Number:
AG01C30N
Chemical Name:
methyl 2-[(2-nitrothiophen-3-yl)amino]acetate
CAS Number:
1858496-58-8
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
MDL Number:
MFCD29991273
IUPAC Name:
methyl 2-[(2-nitrothiophen-3-yl)amino]acetate
InChI:
InChI=1S/C7H8N2O4S/c1-13-6(10)4-8-5-2-3-14-7(5)9(11)12/h2-3,8H,4H2,1H3
InChI Key:
OVRVXEXNNDOHJT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1sccc1NCC(=O)OC
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.211g/mol
Monoisotopic Mass:
216.02g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties