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82702-31-6 | Methyl 3-bromo-4-fluorobenzoate
CAS No: 82702-31-6 Catalog No: AG00356N MDL No:MFCD04972915
Product Description
Catalog Number:
AG00356N
Chemical Name:
Methyl 3-bromo-4-fluorobenzoate
CAS Number:
82702-31-6
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD04972915
IUPAC Name:
methyl 3-bromo-4-fluorobenzoate
InChI:
InChI=1S/C8H6BrFO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
InChI Key:
JVORYGNKYAXATM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Br)F
EC Number:
617-378-3
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.036g/mol
Monoisotopic Mass:
231.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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