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827342-91-6 | 1H-Pyrrole-2-carbonitrile, 5-chloro-1-(methoxymethoxy)-
CAS No: 827342-91-6 Catalog No: AG005836 MDL No:
Product Description
Catalog Number:
AG005836
Chemical Name:
1H-Pyrrole-2-carbonitrile, 5-chloro-1-(methoxymethoxy)-
CAS Number:
827342-91-6
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
IUPAC Name:
5-chloro-1-(methoxymethoxy)pyrrole-2-carbonitrile
InChI:
InChI=1S/C7H7ClN2O2/c1-11-5-12-10-6(4-9)2-3-7(10)8/h2-3H,5H2,1H3
InChI Key:
WPGCGNXFEBXQHG-UHFFFAOYSA-N
SMILES:
COCOn1c(Cl)ccc1C#N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.595g/mol
Monoisotopic Mass:
186.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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