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1144509-75-0 | Carbamic acid, N-[2-[(5-chloro-2-benzoxazolyl)amino]ethyl]-, 1,1-dimethylethyl ester
CAS No: 1144509-75-0 Catalog No: AG000EEA MDL No:
Product Description
Catalog Number:
AG000EEA
Chemical Name:
Carbamic acid, N-[2-[(5-chloro-2-benzoxazolyl)amino]ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1144509-75-0
Molecular Formula:
C14H18ClN3O3
Molecular Weight:
311.7640
IUPAC Name:
tert-butyl N-[2-[(5-chloro-1,3-benzoxazol-2-yl)amino]ethyl]carbamate
InChI:
InChI=1S/C14H18ClN3O3/c1-14(2,3)21-13(19)17-7-6-16-12-18-10-8-9(15)4-5-11(10)20-12/h4-5,8H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChI Key:
LAVDURSDKRVJFL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCNc1nc2c(o1)ccc(c2)Cl
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.104g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.766g/mol
Monoisotopic Mass:
311.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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