N-(4-bromo-3-methylphenyl)propanamide

N-(4-bromo-3-methylphenyl)propanamide

CAS: 64890-68-2

Formula: C10H12BrNO

SMILES: CCC(=O)NC1=CC(C)=C(Br)C=C1

IUPAC: N-(4-bromo-3-methylphenyl)propanamide

InChI: InChI=1S/C10H12BrNO/c1-3-10(13)12-8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)

Composition: C (49.61%), H (5.00%), Br (33.00%), N (5.79%), O (6.61%)

Molar Mass: 242.116

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	241.010227
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	SLWXKBPASHAZPH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.21
Topological Polar Surface Area	29.1
Polarizability	21.6
Ring Count	1
Rotatable Bond Count	2

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