Home Other Building Blocks 4-(3-BROMOPHENYL)-4-OXOBUTYRIC ACID

4-(3-BROMOPHENYL)-4-OXOBUTYRIC ACID

CAS No.:
62903-13-3
Catalog Number:
AG00EFY4
Molecular Formula:
C10H9BrO3
Molecular Weight:
257.0807
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Product Description
Catalog Number:
AG00EFY4
Chemical Name:
4-(3-BROMOPHENYL)-4-OXOBUTYRIC ACID
CAS Number:
62903-13-3
Molecular Formula:
C10H9BrO3
Molecular Weight:
257.0807
MDL Number:
MFCD00672056
IUPAC Name:
4-(3-bromophenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C10H9BrO3/c11-8-3-1-2-7(6-8)9(12)4-5-10(13)14/h1-3,6H,4-5H2,(H,13,14)
InChI Key:
STMSZUNULHZOJT-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1cccc(c1)Br
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.974g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.083g/mol
Monoisotopic Mass:
255.974g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties