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1876289-75-6 | 1-(5-iodopyrimidin-2-yl)-1,4-diazepan-5-one
CAS No: 1876289-75-6 Catalog No: AG01BV6P MDL No:MFCD27727624
Product Description
Catalog Number:
AG01BV6P
Chemical Name:
1-(5-iodopyrimidin-2-yl)-1,4-diazepan-5-one
CAS Number:
1876289-75-6
Molecular Formula:
C9H11IN4O
Molecular Weight:
318.1143
MDL Number:
MFCD27727624
IUPAC Name:
1-(5-iodopyrimidin-2-yl)-1,4-diazepan-5-one
InChI:
InChI=1S/C9H11IN4O/c10-7-5-12-9(13-6-7)14-3-1-8(15)11-2-4-14/h5-6H,1-4H2,(H,11,15)
InChI Key:
QTCYVGODPIRSIS-UHFFFAOYSA-N
SMILES:
O=C1NCCN(CC1)c1ncc(cn1)I
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.998g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.118g/mol
Monoisotopic Mass:
317.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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