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916578-53-5 | tert-butyl 4-(chloromethyl)phenylcarbamate
CAS No: 916578-53-5 Catalog No: AG0035NG MDL No:
Product Description
Catalog Number:
AG0035NG
Chemical Name:
tert-butyl 4-(chloromethyl)phenylcarbamate
CAS Number:
916578-53-5
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
IUPAC Name:
tert-butyl N-[4-(chloromethyl)phenyl]carbamate
InChI:
InChI=1S/C12H16ClNO2/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10/h4-7H,8H2,1-3H3,(H,14,15)
InChI Key:
FRHLNTUJMCHWBT-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)NC(=O)OC(C)(C)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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