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139233-21-9 | Benzamide, N-2-benzothiazolyl-3-bromo-
CAS No: 139233-21-9 Catalog No: AG001AJE MDL No:
Product Description
Catalog Number:
AG001AJE
Chemical Name:
Benzamide, N-2-benzothiazolyl-3-bromo-
CAS Number:
139233-21-9
Molecular Formula:
C14H9BrN2OS
Molecular Weight:
333.2031
IUPAC Name:
N-(1,3-benzothiazol-2-yl)-3-bromobenzamide
InChI:
InChI=1S/C14H9BrN2OS/c15-10-5-3-4-9(8-10)13(18)17-14-16-11-6-1-2-7-12(11)19-14/h1-8H,(H,16,17,18)
InChI Key:
HNSMZZRBTBEMOV-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)Nc1nc2c(s1)cccc2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.962g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.203g/mol
Monoisotopic Mass:
331.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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