이름: 1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILES:
CCn1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccc([N+](=O)[O-])cc2)n1Molecular Processing
Molecular formula
C17H22BN3O4
Molecular weight
343.19
Exact mass
343.1703
XLogP
2.78
TPSA
79.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
95.71
Supplementary Information
상세 정보 불러오는 중…
40개 반응에 참여→