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74878-31-2 | Benzoic acid,4-amino-3,5-dichloro-, ethyl ester
CAS No: 74878-31-2 Catalog No: AG005GMK MDL No:MFCD00016636
Product Description
Catalog Number:
AG005GMK
Chemical Name:
Benzoic acid,4-amino-3,5-dichloro-, ethyl ester
CAS Number:
74878-31-2
Molecular Formula:
C9H9Cl2NO2
Molecular Weight:
234.0793
MDL Number:
MFCD00016636
IUPAC Name:
ethyl 4-amino-3,5-dichlorobenzoate
InChI:
InChI=1S/C9H9Cl2NO2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2,12H2,1H3
InChI Key:
MIDALAPASRDTOZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Cl)c(c(c1)Cl)N
EC Number:
278-013-8
NSC Number:
212192
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.076g/mol
Monoisotopic Mass:
233.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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