Home Halogens tert-Butyl 4-(bromomethyl)indole-1-carboxylate

tert-Butyl 4-(bromomethyl)indole-1-carboxylate

CAS No.:
220499-13-8
Catalog Number:
AG0038W0
Molecular Formula:
C14H16BrNO2
Molecular Weight:
310.1863
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Product Description
Catalog Number:
AG0038W0
Chemical Name:
tert-Butyl 4-(bromomethyl)indole-1-carboxylate
CAS Number:
220499-13-8
Molecular Formula:
C14H16BrNO2
Molecular Weight:
310.1863
MDL Number:
MFCD09834882
IUPAC Name:
tert-butyl 4-(bromomethyl)indole-1-carboxylate
InChI:
InChI=1S/C14H16BrNO2/c1-14(2,3)18-13(17)16-8-7-11-10(9-15)5-4-6-12(11)16/h4-8H,9H2,1-3H3
InChI Key:
VZNWJFMNSJLKHX-UHFFFAOYSA-N
SMILES:
BrCc1cccc2c1ccn2C(=O)OC(C)(C)C
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.036g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.191g/mol
Monoisotopic Mass:
309.036g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties