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200956-56-5 | Benzoic acid, 3-bromo-4-(difluoromethoxy)-, methyl ester
CAS No: 200956-56-5 Catalog No: AG002D3A MDL No:MFCD11110884
Product Description
Catalog Number:
AG002D3A
Chemical Name:
Benzoic acid, 3-bromo-4-(difluoromethoxy)-, methyl ester
CAS Number:
200956-56-5
Molecular Formula:
C9H7BrF2O3
Molecular Weight:
281.0509
MDL Number:
MFCD11110884
IUPAC Name:
methyl 3-bromo-4-(difluoromethoxy)benzoate
InChI:
InChI=1S/C9H7BrF2O3/c1-14-8(13)5-2-3-7(6(10)4-5)15-9(11)12/h2-4,9H,1H3
InChI Key:
PIVLQGBDVHMHDD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Br)OC(F)F
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.955g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.053g/mol
Monoisotopic Mass:
279.955g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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