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124185-27-9 | 1H-Pyrrole-3-carbonitrile, 4-(3-chloro-2,4-difluorophenyl)-
CAS No: 124185-27-9 Catalog No: AG000LN2 MDL No:
Product Description
Catalog Number:
AG000LN2
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-(3-chloro-2,4-difluorophenyl)-
CAS Number:
124185-27-9
Molecular Formula:
C11H5ClF2N2
Molecular Weight:
238.6206
IUPAC Name:
4-(3-chloro-2,4-difluorophenyl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C11H5ClF2N2/c12-10-9(13)2-1-7(11(10)14)8-5-16-4-6(8)3-15/h1-2,4-5,16H
InChI Key:
APXCKJMLJRFINK-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]cc1c1ccc(c(c1F)Cl)F
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.011g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.622g/mol
Monoisotopic Mass:
238.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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