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263403-72-1 | Carbamic acid, [2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]phenyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 263403-72-1 Catalog No: AG002STR MDL No:MFCD24468429
Product Description
Catalog Number:
AG002STR
Chemical Name:
Carbamic acid, [2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]phenyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
263403-72-1
Molecular Formula:
C17H26N2O4
Molecular Weight:
322.3993
MDL Number:
MFCD24468429
IUPAC Name:
tert-butyl N-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamate
InChI:
InChI=1S/C17H26N2O4/c1-16(2,3)22-14(20)18-11-12-9-7-8-10-13(12)19-15(21)23-17(4,5)6/h7-10H,11H2,1-6H3,(H,18,20)(H,19,21)
InChI Key:
NZJDCDLBHCNBMR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccccc1NC(=O)OC(C)(C)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.189g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.405g/mol
Monoisotopic Mass:
322.189g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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