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1-(6,8-dichloro-3,4-dihydro-2H-1-benzopyran-3-yl)methanamine

1-(6,8-dichloro-3,4-dihydro-2H-1-benzopyran-3-yl)methanamine

CAS: 885271-44-3

Formula: C10H11Cl2NO

SMILES: NCC1COC2=C(Cl)C=C(Cl)C=C2C1

IUPAC: 1-(6,8-dichloro-3,4-dihydro-2H-1-benzopyran-3-yl)methanamine

InChI: InChI=1/C10H11Cl2NO/c11-8-2-7-1-6(4-13)5-14-10(7)9(12)3-8/h2-3,6H,1,4-5,13H2

Composition: C (51.75%), H (4.78%), Cl (30.55%), N (6.03%), O (6.89%)

Molar Mass: 232.1

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 231.0217694
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JNNBPNPIJUTADF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 58
Topological Polar Surface Area 35.25
Polarizability 22.87
Ring Count 2
Rotatable Bond Count 1

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96% <2 Days 885271-44-3 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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