Home Halogens 4-bromo-3-formylbenzoic acid

4-bromo-3-formylbenzoic acid

CAS No.:
776315-23-2
Catalog Number:
AG00G9E0
Molecular Formula:
C8H5BrO3
Molecular Weight:
229.0275
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Product Description
Catalog Number:
AG00G9E0
Chemical Name:
4-bromo-3-formylbenzoic acid
CAS Number:
776315-23-2
Molecular Formula:
C8H5BrO3
Molecular Weight:
229.0275
MDL Number:
MFCD20485838
IUPAC Name:
4-bromo-3-formylbenzoic acid
InChI:
InChI=1S/C8H5BrO3/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-4H,(H,11,12)
InChI Key:
BCCWNHVSVOSFOT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1Br)C(=O)O
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.942g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.029g/mol
Monoisotopic Mass:
227.942g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties