Home Halogens tert-butyl 2-(5,6-dichloro-2-imino-1,2-dihydroquinazolin-3(4H)-yl)acetate hydrobromide

tert-butyl 2-(5,6-dichloro-2-imino-1,2-dihydroquinazolin-3(4H)-yl)acetate hydrobromide

CAS No.:
2177267-13-7
Catalog Number:
AG01EFMT
Molecular Formula:
C14H18BrCl2N3O2
Molecular Weight:
411.1216
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$265
- +
250mg
95%
In Stock USA
United States
$441
- +
1g
95%
In Stock USA
United States
$882
- +
5g
95%
In Stock USA
United States
$2646
- +
Product Description
Catalog Number:
AG01EFMT
Chemical Name:
tert-butyl 2-(5,6-dichloro-2-imino-1,2-dihydroquinazolin-3(4H)-yl)acetate hydrobromide
CAS Number:
2177267-13-7
Molecular Formula:
C14H18BrCl2N3O2
Molecular Weight:
411.1216
MDL Number:
MFCD31731569
IUPAC Name:
tert-butyl 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetate;hydrobromide
InChI:
InChI=1S/C14H17Cl2N3O2.BrH/c1-14(2,3)21-11(20)7-19-6-8-10(18-13(19)17)5-4-9(15)12(8)16;/h4-5H,6-7H2,1-3H3,(H2,17,18);1H
InChI Key:
MXBGKNORSZBKPF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CN1Cc2c(NC1=N)ccc(c2Cl)Cl.Br
Properties
Complexity:
436  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.996g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
411.121g/mol
Monoisotopic Mass:
408.996g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties