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328546-79-8 | 9-IODO-1,2,3,4-TETRAHYDRO-5H-1,4-BENZODIAZEPIN-5-ONE
CAS No: 328546-79-8 Catalog No: AG00C5N8 MDL No:
Product Description
Catalog Number:
AG00C5N8
Chemical Name:
9-IODO-1,2,3,4-TETRAHYDRO-5H-1,4-BENZODIAZEPIN-5-ONE
CAS Number:
328546-79-8
IUPAC Name:
9-iodo-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
InChI:
InChI=1S/C9H9IN2O/c10-7-3-1-2-6-8(7)11-4-5-12-9(6)13/h1-3,11H,4-5H2,(H,12,13)
InChI Key:
HCESKYHVILECLD-UHFFFAOYSA-N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.088g/mol
Monoisotopic Mass:
287.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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