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2-amino-4-chloro-3,5-dimethylphenol

2-amino-4-chloro-3,5-dimethylphenol

CAS: 5428-46-6

Formula: C8H10ClNO

SMILES: CC1=CC(O)=C(N)C(C)=C1Cl

IUPAC: 2-amino-4-chloro-3,5-dimethylphenol

InChI: InChI=1S/C8H10ClNO/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,10H2,1-2H3

Composition: C (55.99%), H (5.87%), Cl (20.66%), N (8.16%), O (9.32%)

Molar Mass: 171.62

Atom Count: 21

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 171.0450916
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey NMAZQRPNNZAYIW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.63
Topological Polar Surface Area 46.25
Polarizability 17.47
Ring Count 1
Rotatable Bond Count 0

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