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89525-77-9 | 2-Benzofurancarbonitrile, 6-chloro-3-hydroxy-
CAS No: 89525-77-9 Catalog No: AG003Z1B MDL No:
Product Description
Catalog Number:
AG003Z1B
Chemical Name:
2-Benzofurancarbonitrile, 6-chloro-3-hydroxy-
CAS Number:
89525-77-9
Molecular Formula:
C9H4ClNO2
Molecular Weight:
193.5866
IUPAC Name:
6-chloro-3-hydroxy-1-benzofuran-2-carbonitrile
InChI:
InChI=1S/C9H4ClNO2/c10-5-1-2-6-7(3-5)13-8(4-11)9(6)12/h1-3,12H
InChI Key:
MDPZUTWQXHZBPW-UHFFFAOYSA-N
SMILES:
N#Cc1oc2c(c1O)ccc(c2)Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.993g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.586g/mol
Monoisotopic Mass:
192.993g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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