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Home Carboxys Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate

Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate

CAS No.:
34674-75-4
Catalog Number:
AG00CLBI
Molecular Formula:
C10H8N2O4S
Molecular Weight:
252.2465
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$44
- +
5g
97%
In Stock USA
United States
$169
- +
10g
97%
In Stock USA
United States
$244
- +
25g
97%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG00CLBI
Chemical Name:
Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate
CAS Number:
34674-75-4
Molecular Formula:
C10H8N2O4S
Molecular Weight:
252.2465
MDL Number:
MFCD00245562
IUPAC Name:
methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H8N2O4S/c1-16-10(13)9-8(11)6-4-5(12(14)15)2-3-7(6)17-9/h2-4H,11H2,1H3
InChI Key:
WMZGLTDTPSMOMC-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1N)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.02g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.244g/mol
Monoisotopic Mass:
252.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties