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Home > Nitro Compounds > 67036-13-9
67036-13-9 | Carbonic acid, butyl 4-nitrophenyl ester
CAS No: 67036-13-9 Catalog No: AG005RBK MDL No:
Product Description
Catalog Number:
AG005RBK
Chemical Name:
Carbonic acid, butyl 4-nitrophenyl ester
CAS Number:
67036-13-9
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
IUPAC Name:
butyl (4-nitrophenyl) carbonate
InChI:
InChI=1S/C11H13NO5/c1-2-3-8-16-11(13)17-10-6-4-9(5-7-10)12(14)15/h4-7H,2-3,8H2,1H3
InChI Key:
NFLBOYSTEVDVQC-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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