이름: 6-bromohexanoate
SMILES:
C(CCC(=O)[O-])CCBrMolecular Processing
Molecular formula
C6H10BrO2-
Molecular weight
194.05
Exact mass
192.987
XLogP
0.69
TPSA
40.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
37.27
Supplementary Information
InChIKey: NVRVNSHHLPQGCU-UHFFFAOYSA-M
동의어
6-bromohexanoateRefChem:9138644-BromoethylbutyrateNVRVNSHHLPQGCU-UHFFFAOYSA-M
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