CAS: 1187-46-8
이름: ethyl 2-bromo-2-cyanoacetate
SMILES:
CCOC(=O)C(Br)C#NMolecular Processing
Molecular formula
C5H6BrNO2
Molecular weight
192.01
Exact mass
190.9582
XLogP
0.84
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
34.96
Supplementary Information
InChIKey: QFGBTDLJOFKSQL-UHFFFAOYSA-N
동의어
ethyl 2-bromo-2-cyanoacetate1187-46-8RefChem:1084793Acetic acid, bromocyano-, ethyl esterETHYL 2-BROMO-2-CYANO-ACETATEethyl bromocyanoacetateACETIC ACID, 2-BROMO-2-CYANO-, ETHYL ESTEREthyl alpha-bromo-alpha-cyanoacetateNSC 77072BRN 1761604Bromocyanoacetic acid ethyl esterNSC77072ethylbromocyanoacetateethyl 2-bromocyanoacetateethyl bromo(cyano)acetateWLN: NCYEVO2ethyl2-bromo-2-cyanoacetate4-02-00-01905 (Beilstein Handbook Reference)SCHEMBL9918669DTXSID401030252NSC-77072AKOS016007209Ethyl .alpha.-bromo-.alpha.-cyanoacetateDB-370578ETHYL-ALPHA-BROMO-ALPHA-CYANOACETATE
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