(4S)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride

(4S)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride

CAS: 1187928-90-0

Formula: C9H10ClF2NO

SMILES: Cl.N[C@H]1CCOC2=C(F)C=C(F)C=C12

IUPAC: (4S)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride

InChI: InChI=1S/C9H9F2NO.ClH/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5;/h3-4,8H,1-2,12H2;1H/t8-;/m0./s1

Composition: C (48.77%), H (4.55%), Cl (16.00%), F (17.14%), N (6.32%), O (7.22%)

Molar Mass: 221.63

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	221.041898
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CRNZONGLYNSZNW-QRPNPIFTSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.99
Topological Polar Surface Area	35.25
Polarizability	16.75
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	1187928-90-0		$1,472.00-$7,912.00$1,472.00$2,162.00$7,912.00