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Home > Nitro Compounds > 740842-79-9
740842-79-9 | 7-NITRO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE HYDROCHLORIDE
CAS No: 740842-79-9 Catalog No: AG00FYVC MDL No:MFCD09832103
Product Description
Catalog Number:
AG00FYVC
Chemical Name:
7-NITRO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE HYDROCHLORIDE
CAS Number:
740842-79-9
Molecular Formula:
C10H13ClN2O2
Molecular Weight:
228.6754
MDL Number:
MFCD09832103
IUPAC Name:
7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
InChI:
InChI=1S/C10H12N2O2.ClH/c13-12(14)9-4-5-10-8(7-9)3-1-2-6-11-10;/h4-5,7,11H,1-3,6H2;1H
InChI Key:
QLAWBZXOYSLVIY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)CCCCN2.Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.676g/mol
Monoisotopic Mass:
228.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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