CC(C)(C)OC(=O)N(C)C1CCC(CC1)C=C(Br)Br
이름: tert-butyl N-[4-(2,2-dibromoethenyl)cyclohexyl]-N-methylcarbamate
SMILES: CC(C)(C)OC(=O)N(C)C1CCC(CC1)C=C(Br)Br

Molecular Processing

Molecular formula
C14H23Br2NO2
Molecular weight
397.15
Exact mass
395.0096
XLogP
5.04
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
85.68

Supplementary Information

InChIKey: NMTMPNNLVNLINR-UHFFFAOYSA-N
동의어
SCHEMBL4797721SCHEMBL4797728NMTMPNNLVNLINR-XYPYZODXSA-Ntrans-[4-(2,2-Dibromo-vinyl)-cyclohexyl]-methyl-carbamic acid tert-butyl ester
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