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886012-82-4 | Acetamide, N-[4-(2-benzothiazolyl)phenyl]-2-bromo-
CAS No: 886012-82-4 Catalog No: AG004AVS MDL No:
Product Description
Catalog Number:
AG004AVS
Chemical Name:
Acetamide, N-[4-(2-benzothiazolyl)phenyl]-2-bromo-
CAS Number:
886012-82-4
Molecular Formula:
C15H11BrN2OS
Molecular Weight:
347.2296
IUPAC Name:
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-bromoacetamide
InChI:
InChI=1S/C15H11BrN2OS/c16-9-14(19)17-11-7-5-10(6-8-11)15-18-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H,17,19)
InChI Key:
LALVUBXXRTXFAT-UHFFFAOYSA-N
SMILES:
BrCC(=O)Nc1ccc(cc1)c1nc2c(s1)cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.978g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.23g/mol
Monoisotopic Mass:
345.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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