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857283-60-4 | 1H-Pyrrole,1-(4-isocyanatophenyl)-
CAS No: 857283-60-4 Catalog No: AG004SEE MDL No:MFCD07772803
Product Description
Catalog Number:
AG004SEE
Chemical Name:
1H-Pyrrole,1-(4-isocyanatophenyl)-
CAS Number:
857283-60-4
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD07772803
IUPAC Name:
1-(4-isocyanatophenyl)pyrrole
InChI:
InChI=1S/C11H8N2O/c14-9-12-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H
InChI Key:
XZPOEEDBGHTYQC-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)n1cccc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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