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140939-21-5 | 1,2-Benzenediol, 3-chloro-4-(1-hydroxyethyl)-
CAS No: 140939-21-5 Catalog No: AG001FNG MDL No:
Product Description
Catalog Number:
AG001FNG
Chemical Name:
1,2-Benzenediol, 3-chloro-4-(1-hydroxyethyl)-
CAS Number:
140939-21-5
Molecular Formula:
C8H9ClO3
Molecular Weight:
188.6083
IUPAC Name:
3-chloro-4-(1-hydroxyethyl)benzene-1,2-diol
InChI:
InChI=1S/C8H9ClO3/c1-4(10)5-2-3-6(11)8(12)7(5)9/h2-4,10-12H,1H3
InChI Key:
NEQOEOXTTJQWNE-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1Cl)O)O)O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
188.607g/mol
Monoisotopic Mass:
188.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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