4-bromo-N-propylbenzamide

4-bromo-N-propylbenzamide

CAS: 223557-19-5

Formula: C10H12BrNO

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

IUPAC: 4-bromo-N-propylbenzamide

InChI: InChI=1S/C10H12BrNO/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(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	HFHYZJDMVOCWSV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.93
Topological Polar Surface Area	29.1
Polarizability	21.48
Ring Count	1
Rotatable Bond Count	3

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