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N'- (2,3-Dichlorophenyl) ethane-1,2-Diamine

CAT: 1596-AR-E10525-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E10525-01Size:10 Units
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CAS Number
40779-32-6
Synonyms
N1- (2,3-Dichlorophenyl) ethane-1,2-diamine
Molecular Formula
C8H10Cl2N2
Molecular Weight
205.08
API Name
Ethane

Chemical Information

N~1~-(2,3-Dichlorophenyl)ethane-1,2-diamine
CAS Number40779-32-6
PubChem CID28301823
IUPAC NameN'-(2,3-dichlorophenyl)ethane-1,2-diamine
Molecular FormulaC8H10Cl2N2
Molecular Weight205.08
XLogP2.2
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity132
SMILES
C1=CC(=C(C(=C1)Cl)Cl)NCCN
InChI
InChI=1S/C8H10Cl2N2/c9-6-2-1-3-7(8(6)10)12-5-4-11/h1-3,12H,4-5,11H2
InChIKey
CMAZUWKGYYTYJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N~1~-(2,3-Dichlorophenyl)ethane-1,2-diamine
CAS: 40779-32-6
CID: 28301823
Formula: C8H10Cl2N2
MW: 205.08
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight205.08
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass204.0221037
Monoisotopic Mass204.0221037
Topological Polar Surface Area38.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes