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Home > Nitro Compounds > 147290-67-3
147290-67-3 | Benzoic acid, 3-methyl-4-nitro-, 1,1-dimethylethyl ester
CAS No: 147290-67-3 Catalog No: AG001ERO MDL No:MFCD08703418
Product Description
Catalog Number:
AG001ERO
Chemical Name:
Benzoic acid, 3-methyl-4-nitro-, 1,1-dimethylethyl ester
CAS Number:
147290-67-3
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
MDL Number:
MFCD08703418
IUPAC Name:
tert-butyl 3-methyl-4-nitrobenzoate
InChI:
InChI=1S/C12H15NO4/c1-8-7-9(5-6-10(8)13(15)16)11(14)17-12(2,3)4/h5-7H,1-4H3
InChI Key:
SWAVZCKLGYSSQN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)C)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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