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Home > Nitro Compounds > 7510-57-8
7510-57-8 | benzoic acid, 3,5-dinitro-, sec-butyl ester
CAS No: 7510-57-8 Catalog No: AG0056LQ MDL No:
Product Description
Catalog Number:
AG0056LQ
Chemical Name:
benzoic acid, 3,5-dinitro-, sec-butyl ester
CAS Number:
7510-57-8
Molecular Formula:
C11H12N2O6
Molecular Weight:
268.2228
IUPAC Name:
butan-2-yl 3,5-dinitrobenzoate
InChI:
InChI=1S/C11H12N2O6/c1-3-7(2)19-11(14)8-4-9(12(15)16)6-10(5-8)13(17)18/h4-7H,3H2,1-2H3
InChI Key:
SWFWVZZGOVUDMH-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
339
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:
0
Isotope Atom Count:
0
Molecular Weight:
268.225g/mol
Monoisotopic Mass:
268.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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