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39224-62-9 | 2-Bromo-6-(hydroxymethyl)-4-nitrobenzenol
CAS No: 39224-62-9 Catalog No: AG01EVSC MDL No:
Product Description
Catalog Number:
AG01EVSC
Chemical Name:
2-Bromo-6-(hydroxymethyl)-4-nitrobenzenol
CAS Number:
39224-62-9
Molecular Formula:
C7H6BrNO4
Molecular Weight:
248.0308
IUPAC Name:
2-bromo-6-(hydroxymethyl)-4-nitrophenol
InChI:
InChI=1S/C7H6BrNO4/c8-6-2-5(9(12)13)1-4(3-10)7(6)11/h1-2,10-11H,3H2
InChI Key:
QHCPKYKJLPTBGA-UHFFFAOYSA-N
SMILES:
OCc1cc(cc(c1O)Br)[N+](=O)[O-]
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.948g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.032g/mol
Monoisotopic Mass:
246.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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