CCOC(=O)C1=C(C=CC(=C1)C2=C(CCC2)Br)N
Name: ethyl 2-amino-5-(2-bromocyclopenten-1-yl)benzoate
SMILES: CCOC(=O)C1=C(C=CC(=C1)C2=C(CCC2)Br)N

Molecular Processing

Molecular formula
C14H16BrNO2
Molecular weight
310.19
Exact mass
309.0364
XLogP
3.74
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
76.51

Supplementary Information

InChIKey: FWNGTVJLVBGSHN-UHFFFAOYSA-N
Synonyme
3-(2-bromocyclopent-1-enyl)-6-aminobenzoic acid ethyl ester3-(2-bromocyclopent-1-enyl}-6-aminobenzoic acid ethyl esterSCHEMBL5620232FWNGTVJLVBGSHN-UHFFFAOYSA-N
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