Home Other Building Blocks IFLAB-BB F1285-0798

IFLAB-BB F1285-0798

CAS No.:
6278-86-0
Catalog Number:
AG00EFGL
Molecular Formula:
C13H9BrN2S
Molecular Weight:
305.1930
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Product Description
Catalog Number:
AG00EFGL
Chemical Name:
IFLAB-BB F1285-0798
CAS Number:
6278-86-0
Molecular Formula:
C13H9BrN2S
Molecular Weight:
305.1930
MDL Number:
MFCD03460423
IUPAC Name:
N-(4-bromophenyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C13H9BrN2S/c14-9-5-7-10(8-6-9)15-13-16-11-3-1-2-4-12(11)17-13/h1-8H,(H,15,16)
InChI Key:
VNHLHHAXIJZPQO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Nc1nc2c(s1)cccc2
NSC Number:
34473
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.967g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
305.193g/mol
Monoisotopic Mass:
303.967g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties