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16799-04-5 | 3-Nitrophenethyl bromide
CAS No: 16799-04-5 Catalog No: AG003JTK MDL No:
Product Description
Catalog Number:
AG003JTK
Chemical Name:
3-Nitrophenethyl bromide
CAS Number:
16799-04-5
IUPAC Name:
1-(2-bromoethyl)-3-nitrobenzene
InChI:
InChI=1S/C8H8BrNO2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4-5H2
InChI Key:
JZBRVWQGWOLPAT-UHFFFAOYSA-N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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