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850363-42-7 | Carbamic acid, [1-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 850363-42-7 Catalog No: AG004ZV3 MDL No:MFCD11506012
Product Description
Catalog Number:
AG004ZV3
Chemical Name:
Carbamic acid, [1-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
850363-42-7
Molecular Formula:
C13H18BrNO2
Molecular Weight:
300.1915
MDL Number:
MFCD11506012
IUPAC Name:
tert-butyl N-[1-(4-bromophenyl)ethyl]carbamate
InChI:
InChI=1S/C13H18BrNO2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)
InChI Key:
KECPRZHCNCDSET-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Br)NC(=O)OC(C)(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.196g/mol
Monoisotopic Mass:
299.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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