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Home > Nitro Compounds > 67688-82-8
67688-82-8 | 4-tert-Butyl-3,5-dinitrobenzoic acid
CAS No: 67688-82-8 Catalog No: AG00FGYG MDL No:MFCD20529168
Product Description
Catalog Number:
AG00FGYG
Chemical Name:
4-tert-Butyl-3,5-dinitrobenzoic acid
CAS Number:
67688-82-8
Molecular Formula:
C11H12N2O6
Molecular Weight:
268.2228
MDL Number:
MFCD20529168
IUPAC Name:
4-tert-butyl-3,5-dinitrobenzoic acid
InChI:
InChI=1S/C11H12N2O6/c1-11(2,3)9-7(12(16)17)4-6(10(14)15)5-8(9)13(18)19/h4-5H,1-3H3,(H,14,15)
InChI Key:
WHTXLZQPQJAELS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C(C)(C)C)[N+](=O)[O-])C(=O)O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.225g/mol
Monoisotopic Mass:
268.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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