Home Other Building Blocks 4-(4-BROMOPHENYL)PENTANOIC ACID

4-(4-BROMOPHENYL)PENTANOIC ACID

CAS No.:
31042-07-6
Catalog Number:
AG01EL9O
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
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Product Description
Catalog Number:
AG01EL9O
Chemical Name:
4-(4-BROMOPHENYL)PENTANOIC ACID
CAS Number:
31042-07-6
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD09890862
IUPAC Name:
4-(4-bromophenyl)pentanoic acid
InChI:
InChI=1S/C11H13BrO2/c1-8(2-7-11(13)14)9-3-5-10(12)6-4-9/h3-6,8H,2,7H2,1H3,(H,13,14)
InChI Key:
UCJNBCAEPJOHDL-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Br)CCC(=O)O
NSC Number:
625600
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties