Home Halogens 1-[(5-chloro-2-methoxyphenyl)carbamoyl]azetidine-3-carboxylic acid

1-[(5-chloro-2-methoxyphenyl)carbamoyl]azetidine-3-carboxylic acid

CAS No.:
1492395-53-5
Catalog Number:
AG01B9UY
Molecular Formula:
C12H13ClN2O4
Molecular Weight:
284.6956
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Product Description
Catalog Number:
AG01B9UY
Chemical Name:
1-[(5-chloro-2-methoxyphenyl)carbamoyl]azetidine-3-carboxylic acid
CAS Number:
1492395-53-5
Molecular Formula:
C12H13ClN2O4
Molecular Weight:
284.6956
MDL Number:
MFCD22749413
IUPAC Name:
1-[(5-chloro-2-methoxyphenyl)carbamoyl]azetidine-3-carboxylic acid
InChI:
InChI=1S/C12H13ClN2O4/c1-19-10-3-2-8(13)4-9(10)14-12(18)15-5-7(6-15)11(16)17/h2-4,7H,5-6H2,1H3,(H,14,18)(H,16,17)
InChI Key:
BONAUPRPYGNMIZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=O)N1CC(C1)C(=O)O)Cl
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.056g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.696g/mol
Monoisotopic Mass:
284.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties