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100868-47-1 | Phenol, 2-amino-3,6-dichloro-
CAS No: 100868-47-1 Catalog No: AG00031N MDL No:
Product Description
Catalog Number:
AG00031N
Chemical Name:
Phenol, 2-amino-3,6-dichloro-
CAS Number:
100868-47-1
Molecular Formula:
C6H5Cl2NO
Molecular Weight:
178.0160
IUPAC Name:
2-amino-3,6-dichlorophenol
InChI:
InChI=1S/C6H5Cl2NO/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H,9H2
InChI Key:
SKZSUUKUGJSPKY-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1O)N)Cl
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.975g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.012g/mol
Monoisotopic Mass:
176.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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