Home Other Building Blocks BenzeneMethanol, 3-broMo-4-(trifluoroMethyl)

BenzeneMethanol, 3-broMo-4-(trifluoroMethyl)

CAS No.:
372120-54-2
Catalog Number:
AG00C9XZ
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
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Product Description
Catalog Number:
AG00C9XZ
Chemical Name:
BenzeneMethanol, 3-broMo-4-(trifluoroMethyl)
CAS Number:
372120-54-2
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
MDL Number:
MFCD13185397
IUPAC Name:
[3-bromo-4-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C8H6BrF3O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3,13H,4H2
InChI Key:
JYYKPISNWWYHOY-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)Br)C(F)(F)F
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.955g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.034g/mol
Monoisotopic Mass:
253.955g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties