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29067-55-8 | Benzene, 1-(1-bromoethyl)-3-nitro-
CAS No: 29067-55-8 Catalog No: AG01FE9B MDL No:
Product Description
Catalog Number:
AG01FE9B
Chemical Name:
Benzene, 1-(1-bromoethyl)-3-nitro-
CAS Number:
29067-55-8
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
IUPAC Name:
1-(1-bromoethyl)-3-nitrobenzene
InChI:
InChI=1S/C8H8BrNO2/c1-6(9)7-3-2-4-8(5-7)10(11)12/h2-6H,1H3
InChI Key:
CBTKUSGOSLITSO-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)[N+](=O)[O-])Br
Properties
Complexity:
169
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:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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