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Methyl 4-nitro-1h-pyrrole-2-carboxylate

CAS No.:
13138-74-4
Catalog Number:
AG000W2M
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$47
- +
1g
95%
In Stock USA
United States
$419
- +
Product Description
Catalog Number:
AG000W2M
Chemical Name:
Methyl 4-nitro-1h-pyrrole-2-carboxylate
CAS Number:
13138-74-4
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
MDL Number:
MFCD08753843
IUPAC Name:
methyl 4-nitro-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C6H6N2O4/c1-12-6(9)5-2-4(3-7-5)8(10)11/h2-3,7H,1H3
InChI Key:
BRZNAATZQZPGBQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([nH]c1)C(=O)OC
NSC Number:
94955
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.124g/mol
Monoisotopic Mass:
170.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Design, synthesis, and analysis of minor groove binder pyrrolepolyamide-2'-deoxyguanosine hybrids. Journal of nucleic acids 20100101
Properties