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

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

CAS: 885271-38-5

Formula: C10H12ClNO

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

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

InChI: InChI=1/C10H12ClNO/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7H,3,5-6,12H2

Composition: C (60.77%), H (6.12%), Cl (17.93%), N (7.09%), O (8.09%)

Molar Mass: 197.66

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 197.0607417
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KRGBYALRWWPLMH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.2
Topological Polar Surface Area 35.25
Polarizability 20.95
Ring Count 2
Rotatable Bond Count 1

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96% <2 Days 885271-38-5 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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