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130312-65-1 | Propanoic acid, 3-bromo-3,3-difluoro-
CAS No: 130312-65-1 Catalog No: AG000UA4 MDL No:
Product Description
Catalog Number:
AG000UA4
Chemical Name:
Propanoic acid, 3-bromo-3,3-difluoro-
CAS Number:
130312-65-1
Molecular Formula:
C3H3BrF2O2
Molecular Weight:
188.9555
IUPAC Name:
3-bromo-3,3-difluoropropanoic acid
InChI:
InChI=1S/C3H3BrF2O2/c4-3(5,6)1-2(7)8/h1H2,(H,7,8)
InChI Key:
ZZUMEZGPHGRMFZ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(Br)(F)F
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.928g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.956g/mol
Monoisotopic Mass:
187.928g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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