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123856-15-5 | Naphthalene, 6-bromo-2-methoxy-1-nitro-
CAS No: 123856-15-5 Catalog No: AG000L6G MDL No:MFCD21496569
Product Description
Catalog Number:
AG000L6G
Chemical Name:
Naphthalene, 6-bromo-2-methoxy-1-nitro-
CAS Number:
123856-15-5
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
MDL Number:
MFCD21496569
IUPAC Name:
6-bromo-2-methoxy-1-nitronaphthalene
InChI:
InChI=1S/C11H8BrNO3/c1-16-10-5-2-7-6-8(12)3-4-9(7)11(10)13(14)15/h2-6H,1H3
InChI Key:
VQUIAHIZENASND-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])ccc(c2)Br
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.969g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.093g/mol
Monoisotopic Mass:
280.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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