Brc1cccc2c1OCCCN2
CAS: 1267996-76-8
Name: 9-bromo-2,3,4,5-tetrahydro-1,5-benzoxazepine
SMILES: Brc1cccc2c1OCCCN2

Molecular Processing

Molecular formula
C9H10BrNO
Molecular weight
228.09
Exact mass
226.9946
XLogP
2.64
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
52.74

Supplementary Information

InChIKey: SJLNUGPHNXHFER-UHFFFAOYSA-N
Synonyme
1267996-76-89-BROMO-2,3,4,5-TETRAHYDRO-1,5-BENZOXAZEPINE9-Bromo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepineMFCD19376498SCHEMBL4467397SJLNUGPHNXHFER-UHFFFAOYSA-NAKOS017552054AS-39015CS-0334606F3051084-bromo-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocycloheptene
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