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Home > Nitro Compounds > 142259-81-2
142259-81-2 | Benzeneheptanoic acid, 4-[(4-nitrophenyl)methyl]-, methyl ester
CAS No: 142259-81-2 Catalog No: AG001I28 MDL No:
Product Description
Catalog Number:
AG001I28
Chemical Name:
Benzeneheptanoic acid, 4-[(4-nitrophenyl)methyl]-, methyl ester
CAS Number:
142259-81-2
Molecular Formula:
C21H25NO4
Molecular Weight:
355.4275
IUPAC Name:
methyl 7-[4-[(4-nitrophenyl)methyl]phenyl]heptanoate
InChI:
InChI=1S/C21H25NO4/c1-26-21(23)7-5-3-2-4-6-17-8-10-18(11-9-17)16-19-12-14-20(15-13-19)22(24)25/h8-15H,2-7,16H2,1H3
InChI Key:
BQGZBWQQYXRMQL-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCc1ccc(cc1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.178g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.434g/mol
Monoisotopic Mass:
355.178g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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