B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(C)NC(=O)OC(C)(C)C)Cl
CAS: 1002310-00-0
Name: tert-butyl N-[1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]carbamate
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(C)NC(=O)OC(C)(C)C)Cl

Molecular Processing

Molecular formula
C19H29BClNO4
Molecular weight
381.71
Exact mass
381.1878
XLogP
4.22
TPSA
56.79
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
104.95

Supplementary Information

InChIKey: FVCJFSZQVPBGTE-UHFFFAOYSA-N
Synonyme
1002310-00-0tert-Butyl (1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)carbamatetert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateSCHEMBL2696818SCHEMBL9910116FVCJFSZQVPBGTE-UHFFFAOYSA-NDA-16548A1-40498
Quelle anzeigen →
An 10 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→