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886493-51-2 | (3-Bromo-phenyl)-(4,5-dimethoxy-2-nitro-phenyl)-methanol
CAS No: 886493-51-2 Catalog No: AG01EY8E MDL No:
Product Description
Catalog Number:
AG01EY8E
Chemical Name:
(3-Bromo-phenyl)-(4,5-dimethoxy-2-nitro-phenyl)-methanol
CAS Number:
886493-51-2
Molecular Formula:
C15H14BrNO5
Molecular Weight:
368.1794
IUPAC Name:
(3-bromophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol
InChI:
InChI=1S/C15H14BrNO5/c1-21-13-7-11(12(17(19)20)8-14(13)22-2)15(18)9-4-3-5-10(16)6-9/h3-8,15,18H,1-2H3
InChI Key:
LKNRETAFPUBNTP-UHFFFAOYSA-N
SMILES:
COc1cc(C(c2cccc(c2)Br)O)c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.006g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.183g/mol
Monoisotopic Mass:
367.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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