Home Halogens tert-butyl N-(4-bromothiophen-3-yl)carbamate

tert-butyl N-(4-bromothiophen-3-yl)carbamate

CAS No.:
119485-57-3
Catalog Number:
AG01AURV
Molecular Formula:
C9H12BrNO2S
Molecular Weight:
278.1661
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Product Description
Catalog Number:
AG01AURV
Chemical Name:
tert-butyl N-(4-bromothiophen-3-yl)carbamate
CAS Number:
119485-57-3
Molecular Formula:
C9H12BrNO2S
Molecular Weight:
278.1661
MDL Number:
MFCD01860065
IUPAC Name:
tert-butyl N-(4-bromothiophen-3-yl)carbamate
InChI:
InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-7-5-14-4-6(7)10/h4-5H,1-3H3,(H,11,12)
InChI Key:
PBMARQLXQZRXFG-UHFFFAOYSA-N
SMILES:
O=C(Nc1cscc1Br)OC(C)(C)C
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.977g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.164g/mol
Monoisotopic Mass:
276.977g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties