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263015-52-7 | 1H-Pyrrole-3-carbonitrile, 2-amino-1-[(2,6-dichlorophenyl)methyl]-4,5-dimethyl-
CAS No: 263015-52-7 Catalog No: AG002SMH MDL No:MFCD00207997
Product Description
Catalog Number:
AG002SMH
Chemical Name:
1H-Pyrrole-3-carbonitrile, 2-amino-1-[(2,6-dichlorophenyl)methyl]-4,5-dimethyl-
CAS Number:
263015-52-7
Molecular Formula:
C14H13Cl2N3
Molecular Weight:
294.1791
MDL Number:
MFCD00207997
IUPAC Name:
2-amino-1-[(2,6-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile
InChI:
InChI=1S/C14H13Cl2N3/c1-8-9(2)19(14(18)10(8)6-17)7-11-12(15)4-3-5-13(11)16/h3-5H,7,18H2,1-2H3
InChI Key:
VYUGPVYONONYRB-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)n(c(c1C)C)Cc1c(Cl)cccc1Cl
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.179g/mol
Monoisotopic Mass:
293.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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