2-Amino-4,5-dichlorophenol

CAT: 0127-OR16946-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR16946-01Size:250 mg

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CAS Number

28443-57-4

Synonyms

4,5-Dichloro-2-hydroxyaniline

MDL Number

MFCD12406838

Purity

=95%

Smiles

Nc1cc(Cl)c(Cl)cc1O

Chemical Information

2-Amino-4,5-dichlorophenol

CAS Number	28443-57-4
PubChem CID	3015415
IUPAC Name	2-amino-4,5-dichlorophenol
Molecular Formula	C6H5Cl2NO
Molecular Weight	178.01
XLogP	2.4
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	122

SMILES

C1=C(C(=CC(=C1Cl)Cl)O)N

InChI

InChI=1S/C6H5Cl2NO/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H,9H2

InChIKey

UVIBWGFLURLRHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28443-57-4

CID: 3015415

Formula: C6H5Cl2NO

MW: 178.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.01
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	176.9748192
Monoisotopic Mass	176.9748192
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes