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Home > Bromides > 1004305-97-8
1004305-97-8 | Benzeneacetic acid, 4-bromo-α,α-difluoro-, ethyl ester
CAS No: 1004305-97-8 Catalog No: AG0001ZD MDL No:MFCD11975615
Product Description
Catalog Number:
AG0001ZD
Chemical Name:
Benzeneacetic acid, 4-bromo-α,α-difluoro-, ethyl ester
CAS Number:
1004305-97-8
Molecular Formula:
C10H9BrF2O2
Molecular Weight:
279.0781
MDL Number:
MFCD11975615
IUPAC Name:
ethyl 2-(4-bromophenyl)-2,2-difluoroacetate
InChI:
InChI=1S/C10H9BrF2O2/c1-2-15-9(14)10(12,13)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
InChI Key:
PUGCVZGUQPOVQF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)Br)(F)F
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.975g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.081g/mol
Monoisotopic Mass:
277.975g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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