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178053-18-4 | Carbamic acid, N-[[4-(chloromethyl)phenyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 178053-18-4 Catalog No: AG0025QF MDL No:
Product Description
Catalog Number:
AG0025QF
Chemical Name:
Carbamic acid, N-[[4-(chloromethyl)phenyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
178053-18-4
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
IUPAC Name:
tert-butyl N-[[4-(chloromethyl)phenyl]methyl]carbamate
InChI:
InChI=1S/C13H18ClNO2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h4-7H,8-9H2,1-3H3,(H,15,16)
InChI Key:
HMLLJJCAIBCKMS-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)CNC(=O)OC(C)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.742g/mol
Monoisotopic Mass:
255.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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