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1198793-49-5 | 5-Benzoxazolecarboxylic acid, 2-chloro-
CAS No: 1198793-49-5 Catalog No: AG000PT1 MDL No:MFCD20527854
Product Description
Catalog Number:
AG000PT1
Chemical Name:
5-Benzoxazolecarboxylic acid, 2-chloro-
CAS Number:
1198793-49-5
Molecular Formula:
C8H4ClNO3
Molecular Weight:
197.5753
MDL Number:
MFCD20527854
IUPAC Name:
2-chloro-1,3-benzoxazole-5-carboxylic acid
InChI:
InChI=1S/C8H4ClNO3/c9-8-10-5-3-4(7(11)12)1-2-6(5)13-8/h1-3H,(H,11,12)
InChI Key:
ROSIKKXRLNTRFG-UHFFFAOYSA-N
SMILES:
Clc1oc2c(n1)cc(cc2)C(=O)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.988g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.574g/mol
Monoisotopic Mass:
196.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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