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87018-85-7 | Benzamide, N-[3-chloro-4-[4-(1,1-dimethylethyl)phenoxy]phenyl]-
CAS No: 87018-85-7 Catalog No: AG004NR1 MDL No:
Product Description
Catalog Number:
AG004NR1
Chemical Name:
Benzamide, N-[3-chloro-4-[4-(1,1-dimethylethyl)phenoxy]phenyl]-
CAS Number:
87018-85-7
Molecular Formula:
C23H22ClNO2
Molecular Weight:
379.8793
IUPAC Name:
N-[4-(4-tert-butylphenoxy)-3-chlorophenyl]benzamide
InChI:
InChI=1S/C23H22ClNO2/c1-23(2,3)17-9-12-19(13-10-17)27-21-14-11-18(15-20(21)24)25-22(26)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,25,26)
InChI Key:
OOKNLPOVAUYOIK-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1Oc1ccc(cc1)C(C)(C)C)NC(=O)c1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.134g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.884g/mol
Monoisotopic Mass:
379.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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