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869529-35-1 | 3-Bromo-4-fluoro-5-(chlorosulfonyl)benzoic acid
CAS No: 869529-35-1 Catalog No: AG01EY06 MDL No:MFCD16817594
Product Description
Catalog Number:
AG01EY06
Chemical Name:
3-Bromo-4-fluoro-5-(chlorosulfonyl)benzoic acid
CAS Number:
869529-35-1
Molecular Formula:
C7H3BrClFO4S
Molecular Weight:
317.5167
MDL Number:
MFCD16817594
IUPAC Name:
3-bromo-5-chlorosulfonyl-4-fluorobenzoic acid
InChI:
InChI=1S/C7H3BrClFO4S/c8-4-1-3(7(11)12)2-5(6(4)10)15(9,13)14/h1-2H,(H,11,12)
InChI Key:
POHGXELFKXTYQB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c(c(c1)S(=O)(=O)Cl)F
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.861g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.509g/mol
Monoisotopic Mass:
315.861g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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