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Home > Nitro Compounds > 1421601-01-5
1421601-01-5 | 8-methoxy-7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
CAS No: 1421601-01-5 Catalog No: AG019ZQK MDL No:MFCD22391949
Product Description
Catalog Number:
AG019ZQK
Chemical Name:
8-methoxy-7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
CAS Number:
1421601-01-5
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
MDL Number:
MFCD22391949
IUPAC Name:
8-methoxy-7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
InChI:
InChI=1S/C11H12N2O4/c1-17-10-6-8-7(5-9(10)13(15)16)3-2-4-11(14)12-8/h5-6H,2-4H2,1H3,(H,12,14)
InChI Key:
INTMUTAYXHPHNK-UHFFFAOYSA-N
SMILES:
COc1cc2NC(=O)CCCc2cc1[N+](=O)[O-]
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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