200,000+ products from a single source!
sales@angenechem.com
89564-06-7 | Carbamic acid, (2-bromobenzo[b]thien-3-yl)-, 1,1-dimethylethyl ester
CAS No: 89564-06-7 Catalog No: AG003ZCE MDL No:
Product Description
Catalog Number:
AG003ZCE
Chemical Name:
Carbamic acid, (2-bromobenzo[b]thien-3-yl)-, 1,1-dimethylethyl ester
CAS Number:
89564-06-7
Molecular Formula:
C13H14BrNO2S
Molecular Weight:
328.2248
IUPAC Name:
tert-butyl N-(2-bromo-1-benzothiophen-3-yl)carbamate
InChI:
InChI=1S/C13H14BrNO2S/c1-13(2,3)17-12(16)15-10-8-6-4-5-7-9(8)18-11(10)14/h4-7H,1-3H3,(H,15,16)
InChI Key:
ZVLWFITXXLHNET-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1c(Br)sc2c1cccc2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.993g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.224g/mol
Monoisotopic Mass:
326.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.