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Home Halogens (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine hydrochloride

(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine hydrochloride

CAS No.:
1052548-86-3
Catalog Number:
AG019OGD
Molecular Formula:
C10H13Cl2NO2
Molecular Weight:
250.1217
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Product Description
Catalog Number:
AG019OGD
Chemical Name:
(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine hydrochloride
CAS Number:
1052548-86-3
Molecular Formula:
C10H13Cl2NO2
Molecular Weight:
250.1217
MDL Number:
MFCD07324839
IUPAC Name:
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine;hydrochloride
InChI:
InChI=1S/C10H12ClNO2.ClH/c11-8-4-7(6-12)5-9-10(8)14-3-1-2-13-9;/h4-5H,1-3,6,12H2;1H
InChI Key:
LFCGWCGQIRQRTH-UHFFFAOYSA-N
SMILES:
NCc1cc2OCCCOc2c(c1)Cl.Cl
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.032g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
250.119g/mol
Monoisotopic Mass:
249.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties