Home Halogens Carbamic acid, N-[[4-(2-chloro-4-pyrimidinyl)-2-methylphenyl]methyl]-, 1,1-dimethylethyl ester

Carbamic acid, N-[[4-(2-chloro-4-pyrimidinyl)-2-methylphenyl]methyl]-, 1,1-dimethylethyl ester

CAS No.:
1798791-44-2
Catalog Number:
AG0027AY
Molecular Formula:
C17H20ClN3O2
Molecular Weight:
333.8126
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$142
- +
5g
98%
1 week
United States
$413
- +
25g
98%
1 week
United States
$1392
- +
100g
98%
1 week
United States
$4198
- +
500g
98%
1 week
United States
$12531
- +
Product Description
Catalog Number:
AG0027AY
Chemical Name:
Carbamic acid, N-[[4-(2-chloro-4-pyrimidinyl)-2-methylphenyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1798791-44-2
Molecular Formula:
C17H20ClN3O2
Molecular Weight:
333.8126
MDL Number:
MFCD29044892
IUPAC Name:
tert-butyl N-[[4-(2-chloropyrimidin-4-yl)-2-methylphenyl]methyl]carbamate
InChI:
InChI=1S/C17H20ClN3O2/c1-11-9-12(14-7-8-19-15(18)21-14)5-6-13(11)10-20-16(22)23-17(2,3)4/h5-9H,10H2,1-4H3,(H,20,22)
InChI Key:
TXVKGHXLXODMEL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccc(cc1C)c1ccnc(n1)Cl
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.124g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
333.816g/mol
Monoisotopic Mass:
333.124g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties