Home Halogens 4-Amino-2-chloro-5-methoxy-benzoic acid methyl ester

4-Amino-2-chloro-5-methoxy-benzoic acid methyl ester

CAS No.:
1427390-51-9
Catalog Number:
AG00A0P4
Molecular Formula:
C9H10ClNO3
Molecular Weight:
215.6336
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Product Description
Catalog Number:
AG00A0P4
Chemical Name:
4-Amino-2-chloro-5-methoxy-benzoic acid methyl ester
CAS Number:
1427390-51-9
Molecular Formula:
C9H10ClNO3
Molecular Weight:
215.6336
MDL Number:
MFCD23707454
IUPAC Name:
methyl 4-amino-2-chloro-5-methoxybenzoate
InChI:
InChI=1S/C9H10ClNO3/c1-13-8-3-5(9(12)14-2)6(10)4-7(8)11/h3-4H,11H2,1-2H3
InChI Key:
SXTDGPPXGMTYEP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(cc1Cl)N
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.633g/mol
Monoisotopic Mass:
215.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties