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188690-82-6 | Benzenemethanol, α-(bromomethyl)-3-nitro-4-(phenylmethoxy)-, (αR)-
CAS No: 188690-82-6 Catalog No: AG002H5R MDL No:
Product Description
Catalog Number:
AG002H5R
Chemical Name:
Benzenemethanol, α-(bromomethyl)-3-nitro-4-(phenylmethoxy)-, (αR)-
CAS Number:
188690-82-6
Molecular Formula:
C15H14BrNO4
Molecular Weight:
352.1800
IUPAC Name:
(1R)-2-bromo-1-(3-nitro-4-phenylmethoxyphenyl)ethanol
InChI:
InChI=1S/C15H14BrNO4/c16-9-14(18)12-6-7-15(13(8-12)17(19)20)21-10-11-4-2-1-3-5-11/h1-8,14,18H,9-10H2/t14-/m0/s1
InChI Key:
HQGAJOFIQLBIIM-AWEZNQCLSA-N
SMILES:
BrC[C@@H](c1ccc(c(c1)[N+](=O)[O-])OCc1ccccc1)O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
351.011g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.184g/mol
Monoisotopic Mass:
351.011g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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