CC(C)N(C(C)C)C(=O)C1=C(C=C(C=C1)Br)F
이름: 4-bromo-2-fluoro-N,N-di(propan-2-yl)benzamide
SMILES: CC(C)N(C(C)C)C(=O)C1=C(C=C(C=C1)Br)F

Molecular Processing

Molecular formula
C13H17BrFNO
Molecular weight
302.19
Exact mass
301.0478
XLogP
3.85
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
70.54

Supplementary Information

InChIKey: OVGBEQQOAPYNOE-UHFFFAOYSA-N
동의어
SCHEMBL2101997OVGBEQQOAPYNOE-UHFFFAOYSA-N4-bromo-2-fluoro-N,N-bis(1-methylethyl)-benzamide
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