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1167055-35-7 | 1H-Indole-4-Methanol, 7-chloro-
CAS No: 1167055-35-7 Catalog No: AG000D1F MDL No:
Product Description
Catalog Number:
AG000D1F
Chemical Name:
1H-Indole-4-Methanol, 7-chloro-
CAS Number:
1167055-35-7
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
IUPAC Name:
(7-chloro-1H-indol-4-yl)methanol
InChI:
InChI=1S/C9H8ClNO/c10-8-2-1-6(5-12)7-3-4-11-9(7)8/h1-4,11-12H,5H2
InChI Key:
MTPPCZJVZJDUMQ-UHFFFAOYSA-N
SMILES:
OCc1ccc(c2c1cc[nH]2)Cl
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:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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