Home Halogens 5-(tert-Butyl)-2-chlorobenzoic acid

5-(tert-Butyl)-2-chlorobenzoic acid

CAS No.:
60772-72-7
Catalog Number:
AG01EWMQ
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$592
- +
5g
95%
1 week
United States
$1700
- +
Product Description
Catalog Number:
AG01EWMQ
Chemical Name:
5-(tert-Butyl)-2-chlorobenzoic acid
CAS Number:
60772-72-7
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
MDL Number:
MFCD08704666
IUPAC Name:
5-tert-butyl-2-chlorobenzoic acid
InChI:
InChI=1S/C11H13ClO2/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6H,1-3H3,(H,13,14)
InChI Key:
AQGAOYCHKNUAJK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1Cl)C(C)(C)C
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties