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116069-92-2 | Benzene, 1-(bromomethyl)-3-methyl-5-nitro-
CAS No: 116069-92-2 Catalog No: AG000BJ8 MDL No:
Product Description
Catalog Number:
AG000BJ8
Chemical Name:
Benzene, 1-(bromomethyl)-3-methyl-5-nitro-
CAS Number:
116069-92-2
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
IUPAC Name:
1-(bromomethyl)-3-methyl-5-nitrobenzene
InChI:
InChI=1S/C8H8BrNO2/c1-6-2-7(5-9)4-8(3-6)10(11)12/h2-4H,5H2,1H3
InChI Key:
HAZNQZPKIIYODB-UHFFFAOYSA-N
SMILES:
BrCc1cc(C)cc(c1)[N+](=O)[O-]
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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