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55737-77-4

55737-77-4 | 3-Chloro-4-(methoxycarbonyl)benzoic acid

CAS No: 55737-77-4 Catalog No: AG0038NE MDL No:MFCD00100478

Product Description

Catalog Number:
AG0038NE
Chemical Name:
3-Chloro-4-(methoxycarbonyl)benzoic acid
CAS Number:
55737-77-4
Molecular Formula:
C9H7ClO4
Molecular Weight:
214.6025
MDL Number:
MFCD00100478
IUPAC Name:
3-chloro-4-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C9H7ClO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,1H3,(H,11,12)
InChI Key:
IHWMWEIAAARWJH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1Cl)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:
3  

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