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1632286-03-3 | Carbamic acid, N-(4-chloro-2-formyl-5-methoxyphenyl)-, 1,1-dimethylethyl ester
CAS No: 1632286-03-3 Catalog No: AG001TX1 MDL No:
Product Description
Catalog Number:
AG001TX1
Chemical Name:
Carbamic acid, N-(4-chloro-2-formyl-5-methoxyphenyl)-, 1,1-dimethylethyl ester
CAS Number:
1632286-03-3
Molecular Formula:
C13H16ClNO4
Molecular Weight:
285.7234
IUPAC Name:
tert-butyl N-(4-chloro-2-formyl-5-methoxyphenyl)carbamate
InChI:
InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(17)15-10-6-11(18-4)9(14)5-8(10)7-16/h5-7H,1-4H3,(H,15,17)
InChI Key:
GGJHFLREQOGOAT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)c(cc1NC(=O)OC(C)(C)C)OC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.724g/mol
Monoisotopic Mass:
285.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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