CAS: 2623-87-2
이름: 4-bromobutanoic acid
SMILES:
C(CC(=O)O)CBrMolecular Processing
Molecular formula
C4H7BrO2
Molecular weight
167
Exact mass
165.9629
XLogP
1.25
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
30.66
Supplementary Information
InChIKey: GRHQDJDRGZFIPO-UHFFFAOYSA-N
동의어
4-Bromobutyric acid4-Bromobutanoic acidButanoic acid, 4-bromo-4-Bromo-n-butyric acidgamma-Bromobutyric acidCarboxypropyl bromideEINECS 220-083-9NSC 99322.gamma.-Bromobutyric acidDTXSID8052699GRHQDJDRGZFIPO-UHFFFAOYSA-RefChem:98188DTXCID2031297220-083-9GRHQDJDRGZFIPO-UHFFFAOYSA-NInChI=1/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)2623-87-2Butyric acid, 4-bromo-MFCD00002817NSC-993224-Bromobutanoicacid4-bromo-butyric acid4-bromo-butanoic acid4 -bromo-butyric acid4PG7LM4DBF4-Bromobutyric acid, 98%SCHEMBL26511SCHEMBL6049444CHEMBL1229543SCHEMBL28289409
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