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Home > Nitro Compounds > 873055-56-2
873055-56-2 | Carbonic acid 2,4-di-tert-butyl-6-Nitro-phenyl ester methyl ester
CAS No: 873055-56-2 Catalog No: AG00JSBO MDL No:
Product Description
Catalog Number:
AG00JSBO
Chemical Name:
Carbonic acid 2,4-di-tert-butyl-6-Nitro-phenyl ester methyl ester
CAS Number:
873055-56-2
Molecular Formula:
C16H23NO5
Molecular Weight:
309.3575
IUPAC Name:
(2,4-ditert-butyl-6-nitrophenyl) methyl carbonate
InChI:
InChI=1S/C16H23NO5/c1-15(2,3)10-8-11(16(4,5)6)13(22-14(18)21-7)12(9-10)17(19)20/h8-9H,1-7H3
InChI Key:
AHCFUYGLDFAELY-UHFFFAOYSA-N
SMILES:
COC(=O)Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)N(=O)=O
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.362g/mol
Monoisotopic Mass:
309.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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