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Home > Bromides > 1257854-98-0
1257854-98-0 | Carbamic acid, N-(6-bromo-2,3-dihydro-3-benzofuranyl)-, 1,1-dimethylethyl ester
CAS No: 1257854-98-0 Catalog No: AG000OQ6 MDL No:MFCD17215799
Product Description
Catalog Number:
AG000OQ6
Chemical Name:
Carbamic acid, N-(6-bromo-2,3-dihydro-3-benzofuranyl)-, 1,1-dimethylethyl ester
CAS Number:
1257854-98-0
Molecular Formula:
C13H16BrNO3
Molecular Weight:
314.1750
MDL Number:
MFCD17215799
IUPAC Name:
tert-butyl N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)carbamate
InChI:
InChI=1S/C13H16BrNO3/c1-13(2,3)18-12(16)15-10-7-17-11-6-8(14)4-5-9(10)11/h4-6,10H,7H2,1-3H3,(H,15,16)
InChI Key:
DFJAUBAWNZPINB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1COc2c1ccc(c2)Br
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.179g/mol
Monoisotopic Mass:
313.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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