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

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

CAS: 655042

Formula: C9H11NO

SMILES: C1COCC2=CC=CC=C2N1

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

InChI: InChI=1S/C9H11NO/c1-2-4-9-8(3-1)7-11-6-5-10-9/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 GJKVQTRICWNJOP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.85
Topological Polar Surface Area 21.26
Polarizability 16.95
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 655042 $150.65-$2,297.70$150.65$187.45$258.75$401.35$667.00$2,297.70
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