Home Carbonyls 2-Chloro-4-(methoxycarbonyl)benzoic acid

2-Chloro-4-(methoxycarbonyl)benzoic acid

CAS No.:
431888-57-2
Catalog Number:
AG00DKQ0
Molecular Formula:
C9H7ClO4
Molecular Weight:
214.6025
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95+%
1 week
United States
$56
- +
1g
95+%
1 week
United States
$170
- +
Product Description
Catalog Number:
AG00DKQ0
Chemical Name:
2-Chloro-4-(methoxycarbonyl)benzoic acid
CAS Number:
431888-57-2
Molecular Formula:
C9H7ClO4
Molecular Weight:
214.6025
MDL Number:
MFCD21603679
IUPAC Name:
2-chloro-4-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C9H7ClO4/c1-14-9(13)5-2-3-6(8(11)12)7(10)4-5/h2-4H,1H3,(H,11,12)
InChI Key:
ICUITMASTQNLIL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Cl)C(=O)O
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.003g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.601g/mol
Monoisotopic Mass:
214.003g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties