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Home > Nitro Compounds > 2031269-02-8
2031269-02-8 | 8-nitro-2,3,4,5-tetrahydro-1H-1-benzazepine hydrochloride
CAS No: 2031269-02-8 Catalog No: AG01B6G6 MDL No:MFCD30344911
Product Description
Catalog Number:
AG01B6G6
Chemical Name:
8-nitro-2,3,4,5-tetrahydro-1H-1-benzazepine hydrochloride
CAS Number:
2031269-02-8
Molecular Formula:
C10H13ClN2O2
Molecular Weight:
228.6754
MDL Number:
MFCD30344911
IUPAC Name:
8-nitro-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
InChI:
InChI=1S/C10H12N2O2.ClH/c13-12(14)9-5-4-8-3-1-2-6-11-10(8)7-9;/h4-5,7,11H,1-3,6H2;1H
InChI Key:
OQQDTCJHIYBCEN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)NCCCC2.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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