2,3,4,5-tetrahydro-1,4-benzoxazepine

2,3,4,5-tetrahydro-1,4-benzoxazepine

CAS: 17775-01-8

Formula: C9H11NO

SMILES: C1COC2=C(CN1)C=CC=C2

IUPAC: 2,3,4,5-tetrahydro-1,4-benzoxazepine

InChI: InChI=1S/C9H11NO/c1-2-4-9-8(3-1)7-10-5-6-11-9/h1-4,10H,5-7H2

Composition: C (72.46%), H (7.43%), N (9.39%), O (10.72%)

Molar Mass: 149.193

Atom Count: 22

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	149.084063978
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HDVHFHONOKCUHQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.8
Topological Polar Surface Area	21.26
Polarizability	17.33
Ring Count	2
Rotatable Bond Count	0

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