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7-bromo-5-chloro-2,3-dihydro-1-benzofuran-4-amine

7-bromo-5-chloro-2,3-dihydro-1-benzofuran-4-amine

CAS: 164787-52-4

Formula: C8H7BrClNO

SMILES: NC1=C2CCOC2=C(Br)C=C1Cl

IUPAC: 7-bromo-5-chloro-2,3-dihydro-1-benzofuran-4-amine

InChI: InChI=1S/C8H7BrClNO/c9-5-3-6(10)7(11)4-1-2-12-8(4)5/h3H,1-2,11H2

Composition: C (38.67%), H (2.84%), Br (32.15%), Cl (14.27%), N (5.64%), O (6.44%)

Molar Mass: 248.5

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 246.939955
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MLRILCXPMPKPCK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.96
Topological Polar Surface Area 35.25
Polarizability 19.85
Ring Count 2
Rotatable Bond Count 0

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