8-bromo-3,4-dihydro-2H-1,4-benzoxazine

8-bromo-3,4-dihydro-2H-1,4-benzoxazine

CAS: 625394-65-2

Formula: C8H8BrNO

SMILES: BrC1=CC=CC2=C1OCCN2

IUPAC: 8-bromo-3,4-dihydro-2H-1,4-benzoxazine

InChI: InChI=1S/C8H8BrNO/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,10H,4-5H2

Composition: C (44.89%), H (3.77%), Br (37.33%), N (6.54%), O (7.47%)

Molar Mass: 214.062

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.978927
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NUVCHIRBNLDKJQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.37
Topological Polar Surface Area	21.26
Polarizability	17.95
Ring Count	2
Rotatable Bond Count	0

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