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144806-52-0 | Benzene, 4-(bromomethyl)-2-chloro-1-nitro-
CAS No: 144806-52-0 Catalog No: AG001K79 MDL No:
Product Description
Catalog Number:
AG001K79
Chemical Name:
Benzene, 4-(bromomethyl)-2-chloro-1-nitro-
CAS Number:
144806-52-0
Molecular Formula:
C7H5BrClNO2
Molecular Weight:
250.4771
IUPAC Name:
4-(bromomethyl)-2-chloro-1-nitrobenzene
InChI:
InChI=1S/C7H5BrClNO2/c8-4-5-1-2-7(10(11)12)6(9)3-5/h1-3H,4H2
InChI Key:
WPFRTERBMAUPIM-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)Cl)[N+](=O)[O-]
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.919g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.476g/mol
Monoisotopic Mass:
248.919g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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