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88075-93-8 | Benzonitrile, 2-(3-formyl-1H-pyrrol-1-yl)-4-methyl-
CAS No: 88075-93-8 Catalog No: AG004ERL MDL No:
Product Description
Catalog Number:
AG004ERL
Chemical Name:
Benzonitrile, 2-(3-formyl-1H-pyrrol-1-yl)-4-methyl-
CAS Number:
88075-93-8
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
IUPAC Name:
2-(3-formylpyrrol-1-yl)-4-methylbenzonitrile
InChI:
InChI=1S/C13H10N2O/c1-10-2-3-12(7-14)13(6-10)15-5-4-11(8-15)9-16/h2-6,8-9H,1H3
InChI Key:
FSCDHZLOIZRECD-UHFFFAOYSA-N
SMILES:
O=Cc1ccn(c1)c1cc(C)ccc1C#N
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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