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124809-77-4 | Benzoic acid, 4-chloro-3-nitro-, dodecyl ester
CAS No: 124809-77-4 Catalog No: AG000MRL MDL No:MFCD00186183
Product Description
Catalog Number:
AG000MRL
Chemical Name:
Benzoic acid, 4-chloro-3-nitro-, dodecyl ester
CAS Number:
124809-77-4
Molecular Formula:
C19H28ClNO4
Molecular Weight:
369.8829
MDL Number:
MFCD00186183
IUPAC Name:
dodecyl 4-chloro-3-nitrobenzoate
InChI:
InChI=1S/C19H28ClNO4/c1-2-3-4-5-6-7-8-9-10-11-14-25-19(22)16-12-13-17(20)18(15-16)21(23)24/h12-13,15H,2-11,14H2,1H3
InChI Key:
ZWKWRFBNNJDURM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.171g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.886g/mol
Monoisotopic Mass:
369.171g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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