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7-bromo-3,4-dihydro-2H-1-benzopyran-4-amine

7-bromo-3,4-dihydro-2H-1-benzopyran-4-amine

CAS: 1016804-06-0

Formula: C9H10BrNO

SMILES: NC1CCOC2=CC(Br)=CC=C12

IUPAC: 7-bromo-3,4-dihydro-2H-1-benzopyran-4-amine

InChI: InChI=1/C9H10BrNO/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8H,3-4,11H2

Composition: C (47.39%), H (4.42%), Br (35.03%), N (6.14%), O (7.01%)

Molar Mass: 228.089

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 226.994577
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XFJNBPPWJRERLH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.18
Topological Polar Surface Area 35.25
Polarizability 20.1
Ring Count 2
Rotatable Bond Count 0

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