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21086-34-0 | Benzene, 1-(1,2-dibromoethyl)-4-nitro-
CAS No: 21086-34-0 Catalog No: AG002L0X MDL No:
Product Description
Catalog Number:
AG002L0X
Chemical Name:
Benzene, 1-(1,2-dibromoethyl)-4-nitro-
CAS Number:
21086-34-0
Molecular Formula:
C8H7Br2NO2
Molecular Weight:
308.9547
IUPAC Name:
1-(1,2-dibromoethyl)-4-nitrobenzene
InChI:
InChI=1S/C8H7Br2NO2/c9-5-8(10)6-1-3-7(4-2-6)11(12)13/h1-4,8H,5H2
InChI Key:
SXKODRJPXWKNPW-UHFFFAOYSA-N
SMILES:
BrCC(c1ccc(cc1)[N+](=O)[O-])Br
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.882g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.957g/mol
Monoisotopic Mass:
306.884g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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