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Home > Nitro Compounds > 61544-78-3
61544-78-3 | Benzoic acid, 4-(1,1-dimethylethyl)-3,5-dinitro-, methyl ester
CAS No: 61544-78-3 Catalog No: AG00IAVX MDL No:
Product Description
Catalog Number:
AG00IAVX
Chemical Name:
Benzoic acid, 4-(1,1-dimethylethyl)-3,5-dinitro-, methyl ester
CAS Number:
61544-78-3
IUPAC Name:
methyl 4-tert-butyl-3,5-dinitrobenzoate
InChI:
InChI=1S/C12H14N2O6/c1-12(2,3)10-8(13(16)17)5-7(11(15)20-4)6-9(10)14(18)19/h5-6H,1-4H3
InChI Key:
VPPPGGOGBHVDEP-UHFFFAOYSA-N
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.252g/mol
Monoisotopic Mass:
282.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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