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17746-75-7

17746-75-7 | Benzoic acid, 3-bromo-2-hydroxy-5-methyl-

CAS No: 17746-75-7 Catalog No: AG0025BX MDL No:MFCD11203648

Product Description

Catalog Number:
AG0025BX
Chemical Name:
Benzoic acid, 3-bromo-2-hydroxy-5-methyl-
CAS Number:
17746-75-7
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
MDL Number:
MFCD11203648
IUPAC Name:
3-bromo-2-hydroxy-5-methylbenzoic acid
InChI:
InChI=1S/C8H7BrO3/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,10H,1H3,(H,11,12)
InChI Key:
POGDQQPHOPNJFP-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)c(c(c1)C(=O)O)O

Properties

Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.958g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.045g/mol
Monoisotopic Mass:
229.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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