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7396-73-8 | 1-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-nitroethene
CAS No: 7396-73-8 Catalog No: AG01EX8T MDL No:
Product Description
Catalog Number:
AG01EX8T
Chemical Name:
1-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-nitroethene
CAS Number:
7396-73-8
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
IUPAC Name:
4-bromo-2-methoxy-6-(2-nitroethenyl)phenol
InChI:
InChI=1S/C9H8BrNO4/c1-15-8-5-7(10)4-6(9(8)12)2-3-11(13)14/h2-5,12H,1H3
InChI Key:
CARLZVQDCYXBNQ-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc(c1O)/C=C/[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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