Home Halogens Carbamic acid, N-[(1R,2R)-2-(5-bromo-2-thienyl)cyclopropyl]-, 1,1-dimethylethyl ester, rel-

Carbamic acid, N-[(1R,2R)-2-(5-bromo-2-thienyl)cyclopropyl]-, 1,1-dimethylethyl ester, rel-

CAS No.:
1379466-13-3
Catalog Number:
AG0017PI
Molecular Formula:
C12H16BrNO2S
Molecular Weight:
318.2299
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Product Description
Catalog Number:
AG0017PI
Chemical Name:
Carbamic acid, N-[(1R,2R)-2-(5-bromo-2-thienyl)cyclopropyl]-, 1,1-dimethylethyl ester, rel-
CAS Number:
1379466-13-3
Molecular Formula:
C12H16BrNO2S
Molecular Weight:
318.2299
MDL Number:
MFCD30531382
IUPAC Name:
tert-butyl N-[(1S,2S)-2-(5-bromothiophen-2-yl)cyclopropyl]carbamate
InChI:
InChI=1S/C12H16BrNO2S/c1-12(2,3)16-11(15)14-8-6-7(8)9-4-5-10(13)17-9/h4-5,7-8H,6H2,1-3H3,(H,14,15)/t7-,8-/m0/s1
InChI Key:
WVEFTEZZHQMKFR-YUMQZZPRSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1C[C@H]1c1ccc(s1)Br
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
317.009g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
318.229g/mol
Monoisotopic Mass:
317.009g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties