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16855-41-7 | Naphthalene, 1-(bromomethyl)-4-nitro-
CAS No: 16855-41-7 Catalog No: AG001Y4O MDL No:MFCD06658376
Product Description
Catalog Number:
AG001Y4O
Chemical Name:
Naphthalene, 1-(bromomethyl)-4-nitro-
CAS Number:
16855-41-7
Molecular Formula:
C11H8BrNO2
Molecular Weight:
266.0907
MDL Number:
MFCD06658376
IUPAC Name:
1-(bromomethyl)-4-nitronaphthalene
InChI:
InChI=1S/C11H8BrNO2/c12-7-8-5-6-11(13(14)15)10-4-2-1-3-9(8)10/h1-6H,7H2
InChI Key:
SJOQNSWOKVTGMG-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.094g/mol
Monoisotopic Mass:
264.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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