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88541-10-0 | Ethanone, 2-bromo-1-[3-(methylamino)phenyl]-, hydrobromide
CAS No: 88541-10-0 Catalog No: AG004CR6 MDL No:
Product Description
Catalog Number:
AG004CR6
Chemical Name:
Ethanone, 2-bromo-1-[3-(methylamino)phenyl]-, hydrobromide
CAS Number:
88541-10-0
Molecular Formula:
C9H11Br2NO
Molecular Weight:
308.9977
IUPAC Name:
2-bromo-1-[3-(methylamino)phenyl]ethanone;hydrobromide
InChI:
InChI=1S/C9H10BrNO.BrH/c1-11-8-4-2-3-7(5-8)9(12)6-10;/h2-5,11H,6H2,1H3;1H
InChI Key:
ZDUBDNHGAZNENL-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cccc(c1)NC.Br
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.919g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.001g/mol
Monoisotopic Mass:
306.921g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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