Home Halogens tert-Butyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5h)-carboxylate

tert-Butyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5h)-carboxylate

CAS No.:
740842-73-3
Catalog Number:
AG00FG3U
Molecular Formula:
C14H18BrNO3
Molecular Weight:
328.2016
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$82
- +
250mg
95%
In Stock USA
United States
$158
- +
1g
98%(GC)
In Stock USA
United States
$158
- +
5g
98%(GC)
In Stock USA
United States
$505
- +
Product Description
Catalog Number:
AG00FG3U
Chemical Name:
tert-Butyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5h)-carboxylate
CAS Number:
740842-73-3
Molecular Formula:
C14H18BrNO3
Molecular Weight:
328.2016
MDL Number:
MFCD12028392
IUPAC Name:
tert-butyl 7-bromo-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
InChI:
InChI=1S/C14H18BrNO3/c1-14(2,3)19-13(17)16-6-7-18-12-5-4-11(15)8-10(12)9-16/h4-5,8H,6-7,9H2,1-3H3
InChI Key:
GOTCHZNAPXYRGA-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CN(CCO2)C(=O)OC(C)(C)C
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.047g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.206g/mol
Monoisotopic Mass:
327.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties