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Home Halogens Benzyl N-[5-bromo-2-(methylsulfanyl)pyrimidin-4-yl]carbamate

Benzyl N-[5-bromo-2-(methylsulfanyl)pyrimidin-4-yl]carbamate

CAS No.:
1820664-83-2
Catalog Number:
AG00I0PR
Molecular Formula:
C13H12BrN3O2S
Molecular Weight:
354.2223
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$313
- +
5g
98%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG00I0PR
Chemical Name:
Benzyl N-[5-bromo-2-(methylsulfanyl)pyrimidin-4-yl]carbamate
CAS Number:
1820664-83-2
Molecular Formula:
C13H12BrN3O2S
Molecular Weight:
354.2223
MDL Number:
MFCD28397255
IUPAC Name:
benzyl N-(5-bromo-2-methylsulfanylpyrimidin-4-yl)carbamate
InChI:
InChI=1S/C13H12BrN3O2S/c1-20-12-15-7-10(14)11(16-12)17-13(18)19-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,15,16,17,18)
InChI Key:
QZSFBWCTRVQQJO-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(n1)NC(=O)OCc1ccccc1)Br
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.983g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
354.222g/mol
Monoisotopic Mass:
352.983g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties