Home Other Building Blocks 4-(1-BROMOETHYL)BENZOIC ACID

4-(1-BROMOETHYL)BENZOIC ACID

CAS No.:
113023-73-7
Catalog Number:
AG003JXZ
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
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Product Description
Catalog Number:
AG003JXZ
Chemical Name:
4-(1-BROMOETHYL)BENZOIC ACID
CAS Number:
113023-73-7
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD00020378
IUPAC Name:
4-(1-bromoethyl)benzoic acid
InChI:
InChI=1S/C9H9BrO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,1H3,(H,11,12)
InChI Key:
VICCYULHZWEWMB-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(=O)O)Br
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties