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210428-37-8 | 2-Benzothiazoleethanamine,5-chloro-(9CI)
CAS No: 210428-37-8 Catalog No: AG00BLLQ MDL No:MFCD08271858
Product Description
Catalog Number:
AG00BLLQ
Chemical Name:
2-Benzothiazoleethanamine,5-chloro-(9CI)
CAS Number:
210428-37-8
Molecular Formula:
C9H9ClN2S
Molecular Weight:
212.6992
MDL Number:
MFCD08271858
IUPAC Name:
2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine
InChI:
InChI=1S/C9H9ClN2S/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11/h1-2,5H,3-4,11H2
InChI Key:
WLRNHOUULSVXDQ-UHFFFAOYSA-N
SMILES:
NCCc1nc2c(s1)ccc(c2)Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.695g/mol
Monoisotopic Mass:
212.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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