Home Nitros methyl 2-(5-nitrothiophen-2-yl)acetate

methyl 2-(5-nitrothiophen-2-yl)acetate

CAS No.:
1154278-32-6
Catalog Number:
AG01AI9Z
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
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Product Description
Catalog Number:
AG01AI9Z
Chemical Name:
methyl 2-(5-nitrothiophen-2-yl)acetate
CAS Number:
1154278-32-6
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
MDL Number:
MFCD12172986
IUPAC Name:
methyl 2-(5-nitrothiophen-2-yl)acetate
InChI:
InChI=1S/C7H7NO4S/c1-12-7(9)4-5-2-3-6(13-5)8(10)11/h2-3H,4H2,1H3
InChI Key:
BYXXCKXNNUMAJX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(s1)CC(=O)OC
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.01g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.196g/mol
Monoisotopic Mass:
201.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties