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250-72-6 | Pyrrolo[2,3-b]pyrrole
CAS No: 250-72-6 Catalog No: AG002Q53 MDL No:
Product Description
Catalog Number:
AG002Q53
Chemical Name:
Pyrrolo[2,3-b]pyrrole
CAS Number:
250-72-6
Molecular Formula:
C6H4N2
Molecular Weight:
104.1094
IUPAC Name:
pyrrolo[2,3-b]pyrrole
InChI:
InChI=1S/C6H4N2/c1-3-7-6-5(1)2-4-8-6/h1-4H
InChI Key:
NMPKQRFZCLAVGU-UHFFFAOYSA-N
SMILES:
C1=CC2=CC=NC2=N1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.037g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.112g/mol
Monoisotopic Mass:
104.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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