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7697-32-7 | Boron Standard Metal Solution
CAS No: 7697-32-7 Catalog No: AG00GMW3 MDL No:MFCD16250111
Product Description
Catalog Number:
AG00GMW3
Chemical Name:
Boron Standard Metal Solution
CAS Number:
7697-32-7
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD16250111
IUPAC Name:
4-bromo-3,5-dimethylbenzoic acid
InChI:
InChI=1S/C9H9BrO2/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H,11,12)
InChI Key:
OKEOADKQDIJJMU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c(c(c1)C)Br
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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