2-bromo-N,N-dimethylbenzamide

2-bromo-N,N-dimethylbenzamide

CAS: 54616-47-6

Formula: C9H10BrNO

SMILES: CN(C)C(=O)C1=C(Br)C=CC=C1

IUPAC: 2-bromo-N,N-dimethylbenzamide

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

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	0
InChIKey	JYWWETIYYPKRBZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.55
Topological Polar Surface Area	20.31
Polarizability	19.66
Ring Count	1
Rotatable Bond Count	1

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