Home Halogens (4-chloro-1-benzofuran-3-yl)methanamine

(4-chloro-1-benzofuran-3-yl)methanamine

CAS No.:
1824406-12-3
Catalog Number:
AG01BU8O
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
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Product Description
Catalog Number:
AG01BU8O
Chemical Name:
(4-chloro-1-benzofuran-3-yl)methanamine
CAS Number:
1824406-12-3
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD23097945
IUPAC Name:
(4-chloro-1-benzofuran-3-yl)methanamine
InChI:
InChI=1S/C9H8ClNO/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5H,4,11H2
InChI Key:
RXDQQHHKRLLOKC-UHFFFAOYSA-N
SMILES:
NCc1coc2c1c(Cl)ccc2
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties