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Home > Nitro Compounds > 339104-95-9
339104-95-9 | methyl [(4-methoxy-2-nitrophenyl)carbamoyl]formate
CAS No: 339104-95-9 Catalog No: AG00IVU3 MDL No:MFCD01568440
Product Description
Catalog Number:
AG00IVU3
Chemical Name:
methyl [(4-methoxy-2-nitrophenyl)carbamoyl]formate
CAS Number:
339104-95-9
Molecular Formula:
C10H10N2O6
Molecular Weight:
254.1962
MDL Number:
MFCD01568440
IUPAC Name:
methyl 2-(4-methoxy-2-nitroanilino)-2-oxoacetate
InChI:
InChI=1S/C10H10N2O6/c1-17-6-3-4-7(8(5-6)12(15)16)11-9(13)10(14)18-2/h3-5H,1-2H3,(H,11,13)
InChI Key:
OAFPGKQHBHGZQQ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])NC(=O)C(=O)OC
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.198g/mol
Monoisotopic Mass:
254.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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