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88000-67-3 | Carbamic acid, benzoyl-, 1,1-dimethylethyl ester
CAS No: 88000-67-3 Catalog No: AG004KI5 MDL No:MFCD24465583
Product Description
Catalog Number:
AG004KI5
Chemical Name:
Carbamic acid, benzoyl-, 1,1-dimethylethyl ester
CAS Number:
88000-67-3
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD24465583
IUPAC Name:
tert-butyl N-benzoylcarbamate
InChI:
InChI=1S/C12H15NO3/c1-12(2,3)16-11(15)13-10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14,15)
InChI Key:
GWHAAIDHDCOFOC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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