Home Halogens Benzoic acid, 4-(bromomethyl)-3-(trifluoromethyl)-

Benzoic acid, 4-(bromomethyl)-3-(trifluoromethyl)-

CAS No.:
859213-39-1
Catalog Number:
AG00IDTL
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00IDTL
Chemical Name:
Benzoic acid, 4-(bromomethyl)-3-(trifluoromethyl)-
CAS Number:
859213-39-1
MDL Number:
MFCD22492213
IUPAC Name:
4-(bromomethyl)-3-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H6BrF3O2/c10-4-6-2-1-5(8(14)15)3-7(6)9(11,12)13/h1-3H,4H2,(H,14,15)
InChI Key:
CMNCOLQPUHQRCN-UHFFFAOYSA-N
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.95g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.044g/mol
Monoisotopic Mass:
281.95g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties