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1416221-54-9 | 8-iodo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one
CAS No: 1416221-54-9 Catalog No: AG01AGBB MDL No:MFCD27980704
Product Description
Catalog Number:
AG01AGBB
Chemical Name:
8-iodo-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepin-1-one
CAS Number:
1416221-54-9
Molecular Formula:
C8H9IN2O
Molecular Weight:
276.0743
MDL Number:
MFCD27980704
IUPAC Name:
8-iodo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-1-one
InChI:
InChI=1S/C8H9IN2O/c9-6-4-7-8(12)10-2-1-3-11(7)5-6/h4-5H,1-3H2,(H,10,12)
InChI Key:
UMKZVJBIUNNZPZ-UHFFFAOYSA-N
SMILES:
Ic1cn2c(c1)C(=O)NCCC2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.976g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.077g/mol
Monoisotopic Mass:
275.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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