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4-bromo-N-(prop-2-yn-1-yl)benzamide

4-bromo-N-(prop-2-yn-1-yl)benzamide

CAS: 82225-32-9

Formula: C10H8BrNO

SMILES: BrC1=CC=C(C=C1)C(=O)NCC#C

IUPAC: 4-bromo-N-(prop-2-yn-1-yl)benzamide

InChI: InChI=1S/C10H8BrNO/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h1,3-6H,7H2,(H,12,13)

Composition: C (50.45%), H (3.39%), Br (33.56%), N (5.88%), O (6.72%)

Molar Mass: 238.084

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 236.978927
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey PIBNSCVOQQZLNJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.24
Topological Polar Surface Area 29.1
Polarizability 20.4
Ring Count 1
Rotatable Bond Count 2

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