Basic information
- CAS
16170-76-6- Standard SMILES
COc1ccc(C(=O)/C(Br)=C/C(=O)O)cc1- InChIKey
UPZFHUODAYGHDZ-TWGQIWQCSA-N- Molecular formula
- C11H9BrO4
- Average molar mass
- 285.09 g/mol
- Monoisotopic mass
- 283.96842
Names & identifiers
- Preferred name
- Bromebric acid, (Z)-
- IUPAC
- (Z)-3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid
Names & synonyms
Bromebric acid, (Z)-LW3GJH1XNLUNII-LW3GJH1XNLAcrylic acid, 3-p-anisoyl-3-bromo-, (Z)-2-Butenoic acid, 3-bromo-4-(4-methoxyphenyl)-4-oxo-, (2Z)-21653-96-3RefChem:199972(Z)-3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid16170-76-6bromebric-acid3-p-Anisoyl-3-bromacrylsaeure3-p-Anisoyl-3-bromoacrylic acid
Show more names
NCGC00160561-01(Z)-bromebric acidbeta-(4-Methoxybenzoyl)-beta-bromoacrylic acidSCHEMBL67167072-Butenoic acid, 3-bromo-4-(4-methoxyphenyl)-4-oxo-CHEMBL1394646UPZFHUODAYGHDZ-TWGQIWQCSA-NCCG-35335
Database identifiers
- CAS
16170-76-6、21653-96-3- PubChem CID
- 5284375
- ChEMBL
CHEMBL1394646- UNII
- LW3GJH1XNL
- Nikkaji
- J3.114.197D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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