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Home > Bromides > 1032506-48-1
1032506-48-1 | 3-Bromo-2-hydroxy-5-methylbenzonitrile
CAS No: 1032506-48-1 Catalog No: AG01F41G MDL No:
Product Description
Catalog Number:
AG01F41G
Chemical Name:
3-Bromo-2-hydroxy-5-methylbenzonitrile
CAS Number:
1032506-48-1
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
IUPAC Name:
3-bromo-2-hydroxy-5-methylbenzonitrile
InChI:
InChI=1S/C8H6BrNO/c1-5-2-6(4-10)8(11)7(9)3-5/h2-3,11H,1H3
InChI Key:
WCFVTWNNEIQJBM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cc(c1O)Br
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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