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Home > Nitro Compounds > 61938-71-4
61938-71-4 | 2-nitro-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one
CAS No: 61938-71-4 Catalog No: AG00IXVJ MDL No:MFCD00994584
Product Description
Catalog Number:
AG00IXVJ
Chemical Name:
2-nitro-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-12-one
CAS Number:
61938-71-4
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
MDL Number:
MFCD00994584
IUPAC Name:
2-nitro-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
InChI:
InChI=1S/C13H13N3O3/c17-13-10-8-9(16(18)19)5-6-11(10)14-12-4-2-1-3-7-15(12)13/h5-6,8H,1-4,7H2
InChI Key:
YQEBFSMTFJJIKA-UHFFFAOYSA-N
SMILES:
O=c1n2CCCCCc2nc2c1cc(cc2)[N+](=O)[O-]
NSC Number:
666865
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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