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83613-48-3 | 4H-Azepin-4-one, 5-bromohexahydro-, hydrobromide
CAS No: 83613-48-3 Catalog No: AG0056Z0 MDL No:
Product Description
Catalog Number:
AG0056Z0
Chemical Name:
4H-Azepin-4-one, 5-bromohexahydro-, hydrobromide
CAS Number:
83613-48-3
Molecular Formula:
C6H11Br2NO
Molecular Weight:
272.9656
IUPAC Name:
5-bromoazepan-4-one;hydrobromide
InChI:
InChI=1S/C6H10BrNO.BrH/c7-5-1-3-8-4-2-6(5)9;/h5,8H,1-4H2;1H
InChI Key:
NVYOYWJYOLJILH-UHFFFAOYSA-N
SMILES:
BrC1CCNCCC1=O.Br
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.919g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.968g/mol
Monoisotopic Mass:
270.921g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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