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Home Carboxys tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate

tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate

CAS No.:
67974-08-7
Catalog Number:
AG00FBEG
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$73
- +
5g
95%
1 week
United States
$142
- +
25g
95%
1 week
United States
$357
- +
100g
95%
1 week
United States
$1281
- +
Product Description
Catalog Number:
AG00FBEG
Chemical Name:
tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate
CAS Number:
67974-08-7
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
MDL Number:
MFCD00631285
IUPAC Name:
tert-butyl 1-methyl-4-nitropyrrole-2-carboxylate
InChI:
InChI=1S/C10H14N2O4/c1-10(2,3)16-9(13)8-5-7(12(14)15)6-11(8)4/h5-6H,1-4H3
InChI Key:
LUCCDDXLASSKID-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cn1C)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties