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127956-27-8 | 1H-Indole, 6-(difluoromethyl)-
CAS No: 127956-27-8 Catalog No: AG000XL0 MDL No:MFCD12924742
Product Description
Catalog Number:
AG000XL0
Chemical Name:
1H-Indole, 6-(difluoromethyl)-
CAS Number:
127956-27-8
Molecular Formula:
C9H7F2N
Molecular Weight:
167.1554
MDL Number:
MFCD12924742
IUPAC Name:
6-(difluoromethyl)-1H-indole
InChI:
InChI=1S/C9H7F2N/c10-9(11)7-2-1-6-3-4-12-8(6)5-7/h1-5,9,12H
InChI Key:
SSZMGMWFFIVDPL-UHFFFAOYSA-N
SMILES:
FC(c1ccc2c(c1)[nH]cc2)F
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.159g/mol
Monoisotopic Mass:
167.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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