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89013-45-6 | Benzamide, N-[3-chloro-4-[4-(1,1-dimethylpropyl)phenoxy]phenyl]-
CAS No: 89013-45-6 Catalog No: AG00438F MDL No:
Product Description
Catalog Number:
AG00438F
Chemical Name:
Benzamide, N-[3-chloro-4-[4-(1,1-dimethylpropyl)phenoxy]phenyl]-
CAS Number:
89013-45-6
Molecular Formula:
C24H24ClNO2
Molecular Weight:
393.9059
IUPAC Name:
N-[3-chloro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]benzamide
InChI:
InChI=1S/C24H24ClNO2/c1-4-24(2,3)18-10-13-20(14-11-18)28-22-15-12-19(16-21(22)25)26-23(27)17-8-6-5-7-9-17/h5-16H,4H2,1-3H3,(H,26,27)
InChI Key:
CDNGCOAXBKSBHY-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)Oc1ccc(cc1Cl)NC(=O)c1ccccc1)(C)C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.15g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.911g/mol
Monoisotopic Mass:
393.15g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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