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26386-82-3 | Phenol, 5-(bromomethyl)-2-nitro-
CAS No: 26386-82-3 Catalog No: AG002SZH MDL No:
Product Description
Catalog Number:
AG002SZH
Chemical Name:
Phenol, 5-(bromomethyl)-2-nitro-
CAS Number:
26386-82-3
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
IUPAC Name:
5-(bromomethyl)-2-nitrophenol
InChI:
InChI=1S/C7H6BrNO3/c8-4-5-1-2-6(9(11)12)7(10)3-5/h1-3,10H,4H2
InChI Key:
KNYZFJUGKIWQJY-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)O)[N+](=O)[O-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.033g/mol
Monoisotopic Mass:
230.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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