C1=CC(=CC(=C1)Br)CCC=O
CAS: 210115-30-3
이름: 3-(3-bromophenyl)propanal
SMILES: C1=CC(=CC(=C1)Br)CCC=O

Molecular Processing

Molecular formula
C9H9BrO
Molecular weight
213.07
Exact mass
211.9837
XLogP
2.58
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
48.53

Supplementary Information

InChIKey: ZULVLUNCIBAQRZ-UHFFFAOYSA-N
동의어
3-(3-bromophenyl)propanal210115-30-3BENZENEPROPANAL, 3-BROMO-MFCD090286023-(3-BROMO-PHENYL)-PROPIONALDEHYDESCHEMBL419919SCHEMBL55371723-(3-bromophenyl)propionaldehydeDTXSID50616958ZULVLUNCIBAQRZ-UHFFFAOYSA-NCS-B0312AKOS011897925AB49239AS-44220SY243372A10169F529877
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