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Home > Nitro Compounds > 147350-51-4
147350-51-4 | Carbamic acid, (4,5-diethoxy-2-nitrophenyl)-, 1-methylethyl ester (9CI)
CAS No: 147350-51-4 Catalog No: AG001EUK MDL No:
Product Description
Catalog Number:
AG001EUK
Chemical Name:
Carbamic acid, (4,5-diethoxy-2-nitrophenyl)-, 1-methylethyl ester (9CI)
CAS Number:
147350-51-4
Molecular Formula:
C14H20N2O6
Molecular Weight:
312.3184
IUPAC Name:
propan-2-yl N-(4,5-diethoxy-2-nitrophenyl)carbamate
InChI:
InChI=1S/C14H20N2O6/c1-5-20-12-7-10(15-14(17)22-9(3)4)11(16(18)19)8-13(12)21-6-2/h7-9H,5-6H2,1-4H3,(H,15,17)
InChI Key:
VOQKVAQOSJRKPG-UHFFFAOYSA-N
SMILES:
CCOc1cc(NC(=O)OC(C)C)c(cc1OCC)[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.322g/mol
Monoisotopic Mass:
312.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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