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Home > Nitro Compounds > 17422-54-7
17422-54-7 | 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-nitro-
CAS No: 17422-54-7 Catalog No: AG001ZII MDL No:MFCD11036296
Product Description
Catalog Number:
AG001ZII
Chemical Name:
1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-nitro-
CAS Number:
17422-54-7
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
MDL Number:
MFCD11036296
IUPAC Name:
8-nitro-2,3,4,5-tetrahydro-1H-1-benzazepine
InChI:
InChI=1S/C10H12N2O2/c13-12(14)9-5-4-8-3-1-2-6-11-10(8)7-9/h4-5,7,11H,1-3,6H2
InChI Key:
PVXOIYWWBOZBCJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)NCCCC2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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