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88312-85-0 | Benzamide, N-(2-bromo-4-methylphenyl)-2-[(1,1-dimethylethyl)thio]-
CAS No: 88312-85-0 Catalog No: AG0048PF MDL No:
Product Description
Catalog Number:
AG0048PF
Chemical Name:
Benzamide, N-(2-bromo-4-methylphenyl)-2-[(1,1-dimethylethyl)thio]-
CAS Number:
88312-85-0
Molecular Formula:
C18H20BrNOS
Molecular Weight:
378.3265
IUPAC Name:
N-(2-bromo-4-methylphenyl)-2-tert-butylsulfanylbenzamide
InChI:
InChI=1S/C18H20BrNOS/c1-12-9-10-15(14(19)11-12)20-17(21)13-7-5-6-8-16(13)22-18(2,3)4/h5-11H,1-4H3,(H,20,21)
InChI Key:
OLJXWPQQMKDMMY-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)NC(=O)c1ccccc1SC(C)(C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.045g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.328g/mol
Monoisotopic Mass:
377.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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