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1233659-29-4

1233659-29-4 | 1H-Pyrrole-3-carbonitrile, 1-(phenylmethyl)-

CAS No: 1233659-29-4 Catalog No: AG000KG8 MDL No:MFCD17168259

Product Description

Catalog Number:
AG000KG8
Chemical Name:
1H-Pyrrole-3-carbonitrile, 1-(phenylmethyl)-
CAS Number:
1233659-29-4
Molecular Formula:
C12H10N2
Molecular Weight:
182.2212
MDL Number:
MFCD17168259
IUPAC Name:
1-benzylpyrrole-3-carbonitrile
InChI:
InChI=1S/C12H10N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-7,10H,9H2
InChI Key:
BOTLGXMFARPJHC-UHFFFAOYSA-N
SMILES:
N#Cc1ccn(c1)Cc1ccccc1

Properties

Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.226g/mol
Monoisotopic Mass:
182.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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