3,4-dihydro-2H-1,4-benzoxazine hydrochloride

3,4-dihydro-2H-1,4-benzoxazine hydrochloride

CAS: 5735-53-5

Formula: C8H10ClNO

SMILES: Cl.C1COC2=C(N1)C=CC=C2

IUPAC: 3,4-dihydro-2H-1,4-benzoxazine hydrochloride

InChI: InChI=1S/C8H9NO.ClH/c1-2-4-8-7(3-1)9-5-6-10-8;/h1-4,9H,5-6H2;1H

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	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SEYXJSRNSAARCP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.75
Topological Polar Surface Area	21.26
Polarizability	15.1
Ring Count	2
Rotatable Bond Count	0

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