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1350989-26-2 | 6-Bromo-N-(furan-2-ylmethyl)benzo[d]thiazol-2-amine
CAS No: 1350989-26-2 Catalog No: AG01FML2 MDL No:MFCD22587761
Product Description
Catalog Number:
AG01FML2
Chemical Name:
6-Bromo-N-(furan-2-ylmethyl)benzo[d]thiazol-2-amine
CAS Number:
1350989-26-2
Molecular Formula:
C12H9BrN2OS
Molecular Weight:
309.1817
MDL Number:
MFCD22587761
IUPAC Name:
6-bromo-N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C12H9BrN2OS/c13-8-3-4-10-11(6-8)17-12(15-10)14-7-9-2-1-5-16-9/h1-6H,7H2,(H,14,15)
InChI Key:
BYVIQGAQNBVOCN-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)sc(n2)NCc1ccco1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.962g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.181g/mol
Monoisotopic Mass:
307.962g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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