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1169870-80-7 | Benzoic acid, 4-chloro-2-fluoro-3-methoxy-
CAS No: 1169870-80-7 Catalog No: AG000DG1 MDL No:MFCD19687204
Product Description
Catalog Number:
AG000DG1
Chemical Name:
Benzoic acid, 4-chloro-2-fluoro-3-methoxy-
CAS Number:
1169870-80-7
Molecular Formula:
C8H6ClFO3
Molecular Weight:
204.5828
MDL Number:
MFCD19687204
IUPAC Name:
4-chloro-2-fluoro-3-methoxybenzoic acid
InChI:
InChI=1S/C8H6ClFO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
ODAJPJWSLSBLLM-UHFFFAOYSA-N
SMILES:
COc1c(Cl)ccc(c1F)C(=O)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.581g/mol
Monoisotopic Mass:
203.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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