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87388-18-9 | 1H-Pyrrole-3-carbonitrile, 4-[3-(difluoromethoxy)phenyl]-
CAS No: 87388-18-9 Catalog No: AG004NTJ MDL No:
Product Description
Catalog Number:
AG004NTJ
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-[3-(difluoromethoxy)phenyl]-
CAS Number:
87388-18-9
Molecular Formula:
C12H8F2N2O
Molecular Weight:
234.2015
IUPAC Name:
4-[3-(difluoromethoxy)phenyl]-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C12H8F2N2O/c13-12(14)17-10-3-1-2-8(4-10)11-7-16-6-9(11)5-15/h1-4,6-7,12,16H
InChI Key:
CSDSIVISMPSCIQ-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]cc1c1cccc(c1)OC(F)F
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.206g/mol
Monoisotopic Mass:
234.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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