CAS: 2075-45-8
名称: 4-bromo-1H-pyrazole
SMILES:
C1=C(C=NN1)BrMolecular Processing
Molecular formula
C3H3BrN2
Molecular weight
146.97
Exact mass
145.948
XLogP
1.17
TPSA
28.68
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
6
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
26.29
Supplementary Information
InChIKey: WVGCPEDBFHEHEZ-UHFFFAOYSA-N
同義語
4-Bromo-1H-pyrazole4-Bromopyrazole2075-45-81H-Pyrazole, 4-bromo-PYRAZOLE, 4-BROMO-JCB5VB9RTANSC-522023DTXSID50174826RefChem:98222DTXCID1097317629-057-54-BrompyrazoleMFCD00075602CHEMBL44401114-bromo-pyrazole4-Bromopyrazole; NSC 522023NSC 522023BRN 01065104-bromo pyrazoleBYZ4-Bromo-1-H-pyrazole4-Bromopyrazole, 99%WLN: T5MNJ DESCHEMBL101695-23-04-00172 (Beilstein Handbook Reference)SCHEMBL357307orb2940087SCHEMBL1261053SCHEMBL2042729ALBB-000287
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