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21109-27-3 | 1H-Indole-2-methanamine, 5-chloro-
CAS No: 21109-27-3 Catalog No: AG002L5O MDL No:MFCD02089399
Product Description
Catalog Number:
AG002L5O
Chemical Name:
1H-Indole-2-methanamine, 5-chloro-
CAS Number:
21109-27-3
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
MDL Number:
MFCD02089399
IUPAC Name:
(5-chloro-1H-indol-2-yl)methanamine
InChI:
InChI=1S/C9H9ClN2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,12H,5,11H2
InChI Key:
JPXQQXPBWCBYCW-UHFFFAOYSA-N
SMILES:
NCc1cc2c([nH]1)ccc(c2)Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.635g/mol
Monoisotopic Mass:
180.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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