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20771-97-5 | Benzoic acid, 2-chloro-6-formyl-
CAS No: 20771-97-5 Catalog No: AG002J7V MDL No:MFCD11053586
Product Description
Catalog Number:
AG002J7V
Chemical Name:
Benzoic acid, 2-chloro-6-formyl-
CAS Number:
20771-97-5
Molecular Formula:
C8H5ClO3
Molecular Weight:
184.5765
MDL Number:
MFCD11053586
IUPAC Name:
2-chloro-6-formylbenzoic acid
InChI:
InChI=1S/C8H5ClO3/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-4H,(H,11,12)
InChI Key:
URGQYBULFKLFMX-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1C(=O)O)Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.993g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.575g/mol
Monoisotopic Mass:
183.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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