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2-amino-4-chloro-5-methylphenol

2-amino-4-chloro-5-methylphenol

CAS: 53524-27-9

Formula: C7H8ClNO

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

IUPAC: 2-amino-4-chloro-5-methylphenol

InChI: InChI=1S/C7H8ClNO/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,9H2,1H3

Composition: C (53.35%), H (5.12%), Cl (22.49%), N (8.89%), O (10.15%)

Molar Mass: 157.6

Atom Count: 18

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 157.0294416
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey QDGJHZNOQSIFAT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.59
Topological Polar Surface Area 46.25
Polarizability 15.71
Ring Count 1
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 53524-27-9 $339.25-$1,144.25$339.25$1,144.25
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