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116653-25-9 | 1,2-Benzenediol, 5-(2-aminoethyl)-3-chloro-
CAS No: 116653-25-9 Catalog No: AG000CXK MDL No:
Product Description
Catalog Number:
AG000CXK
Chemical Name:
1,2-Benzenediol, 5-(2-aminoethyl)-3-chloro-
CAS Number:
116653-25-9
Molecular Formula:
C8H10ClNO2
Molecular Weight:
187.6235
IUPAC Name:
5-(2-aminoethyl)-3-chlorobenzene-1,2-diol
InChI:
InChI=1S/C8H10ClNO2/c9-6-3-5(1-2-10)4-7(11)8(6)12/h3-4,11-12H,1-2,10H2
InChI Key:
LOHZNVBFLUDIHT-UHFFFAOYSA-N
SMILES:
NCCc1cc(O)c(c(c1)Cl)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.623g/mol
Monoisotopic Mass:
187.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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