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16793-89-8 | Benzene, 1-(2-bromoethyl)-2-nitro-
CAS No: 16793-89-8 Catalog No: AG001XOZ MDL No:MFCD06800159
Product Description
Catalog Number:
AG001XOZ
Chemical Name:
Benzene, 1-(2-bromoethyl)-2-nitro-
CAS Number:
16793-89-8
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD06800159
IUPAC Name:
1-(2-bromoethyl)-2-nitrobenzene
InChI:
InChI=1S/C8H8BrNO2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5-6H2
InChI Key:
SJLIPOVZERLCNL-UHFFFAOYSA-N
SMILES:
BrCCc1ccccc1[N+](=O)[O-]
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
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