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1215553-99-3 | 4-(1,3-benzothiazol-2-yl)-2-methylaniline hydrochloride
CAS No: 1215553-99-3 Catalog No: AG01EJIR MDL No:MFCD25371146
Product Description
Catalog Number:
AG01EJIR
Chemical Name:
4-(1,3-benzothiazol-2-yl)-2-methylaniline hydrochloride
CAS Number:
1215553-99-3
Molecular Formula:
C14H13ClN2S
Molecular Weight:
276.7844
MDL Number:
MFCD25371146
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-2-methylaniline;hydrochloride
InChI:
InChI=1S/C14H12N2S.ClH/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14;/h2-8H,15H2,1H3;1H
InChI Key:
SNIFCEOSVDHSEX-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C)c1nc2c(s1)cccc2.Cl
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.782g/mol
Monoisotopic Mass:
276.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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