4-bromo-3,5-dimethylbenzamide

4-bromo-3,5-dimethylbenzamide

CAS: 864825-81-0

Formula: C9H10BrNO

SMILES: CC1=CC(=CC(C)=C1Br)C(N)=O

IUPAC: 4-bromo-3,5-dimethylbenzamide

InChI: InChI=1S/C9H10BrNO/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H2,11,12)

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	0
Exact Mass	226.994577
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	ATWMWAQQPBRPCA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.84
Topological Polar Surface Area	43.09
Polarizability	19.52
Ring Count	1
Rotatable Bond Count	1

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