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7-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine

7-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine

CAS: 321435-99-8

Formula: C10H12BrN

SMILES: BrC1=CC=C2NCCCCC2=C1

IUPAC: 7-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine

InChI: InChI=1S/C10H12BrN/c11-9-4-5-10-8(7-9)3-1-2-6-12-10/h4-5,7,12H,1-3,6H2

Composition: C (53.12%), H (5.35%), Br (35.34%), N (6.19%)

Molar Mass: 226.117

Atom Count: 24

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 225.015312
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey RFJIXWJKZNGFLA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.39
Topological Polar Surface Area 12.03
Polarizability 20.76
Ring Count 2
Rotatable Bond Count 0

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96% <2 Days 321435-99-8 $171.35-$3,447.70$171.35$227.70$342.70$572.70$917.70$3,447.70
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