Home Halogens tert-butyl 3-amino-4-chlorobenzoate

tert-butyl 3-amino-4-chlorobenzoate

CAS No.:
873852-20-1
Catalog Number:
AG01C1B4
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
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Product Description
Catalog Number:
AG01C1B4
Chemical Name:
tert-butyl 3-amino-4-chlorobenzoate
CAS Number:
873852-20-1
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
MDL Number:
MFCD12804792
IUPAC Name:
tert-butyl 3-amino-4-chlorobenzoate
InChI:
InChI=1S/C11H14ClNO2/c1-11(2,3)15-10(14)7-4-5-8(12)9(13)6-7/h4-6H,13H2,1-3H3
InChI Key:
IUDMCRKDUAROBE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)N)Cl)OC(C)(C)C
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties