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191602-86-5 | Benzene, 2-bromo-4-nitro-1-(phenylmethoxy)-
CAS No: 191602-86-5 Catalog No: AG002FD2 MDL No:MFCD18447619
Product Description
Catalog Number:
AG002FD2
Chemical Name:
Benzene, 2-bromo-4-nitro-1-(phenylmethoxy)-
CAS Number:
191602-86-5
Molecular Formula:
C13H10BrNO3
Molecular Weight:
308.1274
MDL Number:
MFCD18447619
IUPAC Name:
2-bromo-4-nitro-1-phenylmethoxybenzene
InChI:
InChI=1S/C13H10BrNO3/c14-12-8-11(15(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
MGVSZHWOJJDSMN-UHFFFAOYSA-N
SMILES:
Brc1cc(ccc1OCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.984g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.131g/mol
Monoisotopic Mass:
306.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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