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Home > Bromides > 1239721-51-7
1239721-51-7 | Carbamic acid, N-(5-bromo-2-furanyl)-, 1,1-dimethylethyl ester
CAS No: 1239721-51-7 Catalog No: AG000LAB MDL No:
Product Description
Catalog Number:
AG000LAB
Chemical Name:
Carbamic acid, N-(5-bromo-2-furanyl)-, 1,1-dimethylethyl ester
CAS Number:
1239721-51-7
Molecular Formula:
C9H12BrNO3
Molecular Weight:
262.1005
IUPAC Name:
tert-butyl N-(5-bromofuran-2-yl)carbamate
InChI:
InChI=1S/C9H12BrNO3/c1-9(2,3)14-8(12)11-7-5-4-6(10)13-7/h4-5H,1-3H3,(H,11,12)
InChI Key:
PAQQQAPGPGPAEO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(o1)Br)OC(C)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.103g/mol
Monoisotopic Mass:
261g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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