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137570-75-3 | Benzene, 1-(bromomethyl)-3,5-dinitro-
CAS No: 137570-75-3 Catalog No: AG0013KE MDL No:MFCD09745267
Product Description
Catalog Number:
AG0013KE
Chemical Name:
Benzene, 1-(bromomethyl)-3,5-dinitro-
CAS Number:
137570-75-3
Molecular Formula:
C7H5BrN2O4
Molecular Weight:
261.0296
MDL Number:
MFCD09745267
IUPAC Name:
1-(bromomethyl)-3,5-dinitrobenzene
InChI:
InChI=1S/C7H5BrN2O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4H2
InChI Key:
PVJNFIVPIQXQLZ-UHFFFAOYSA-N
SMILES:
BrCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.943g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.031g/mol
Monoisotopic Mass:
259.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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