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4-bromo-3-methylbenzamide

4-bromo-3-methylbenzamide

CAS: 170229-98-8

Formula: C8H8BrNO

SMILES: CC1=C(Br)C=CC(=C1)C(N)=O

IUPAC: 4-bromo-3-methylbenzamide

InChI: InChI=1S/C8H8BrNO/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H2,10,11)

Composition: C (44.89%), H (3.77%), Br (37.33%), N (6.54%), O (7.47%)

Molar Mass: 214.062

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.978927
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey ZPFPOZMNEKPBIF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.8
Topological Polar Surface Area 43.09
Polarizability 17.78
Ring Count 1
Rotatable Bond Count 1

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