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3-(3-bromophenyl)propanal

3-(3-bromophenyl)propanal

CAS: 210115-30-3

Formula: C9H9BrO

SMILES: BrC1=CC=CC(CCC=O)=C1

IUPAC: 3-(3-bromophenyl)propanal

InChI: InChI=1S/C9H9BrO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5-7H,2,4H2

Composition: C (50.73%), H (4.26%), Br (37.50%), O (7.51%)

Molar Mass: 213.074

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 211.983678
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ZULVLUNCIBAQRZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.66
Topological Polar Surface Area 17.07
Polarizability 18.69
Ring Count 1
Rotatable Bond Count 3

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