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162374-77-8 | 4-(5-methoxy-1,3-benzothiazol-2-yl)aniline
CAS No: 162374-77-8 Catalog No: AG00INTL MDL No:MFCD22375456
Product Description
Catalog Number:
AG00INTL
Chemical Name:
4-(5-methoxy-1,3-benzothiazol-2-yl)aniline
CAS Number:
162374-77-8
Molecular Formula:
C14H12N2OS
Molecular Weight:
256.3229
MDL Number:
MFCD22375456
IUPAC Name:
4-(5-methoxy-1,3-benzothiazol-2-yl)aniline
InChI:
InChI=1S/C14H12N2OS/c1-17-11-6-7-13-12(8-11)16-14(18-13)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3
InChI Key:
URSIJLFKUGUAGH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(s2)c1ccc(cc1)N
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.323g/mol
Monoisotopic Mass:
256.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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