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7729-85-3 | Carbamic acid, dimethyl-, (6-bromo-1,3-benzodioxol-5-yl)methyl ester
CAS No: 7729-85-3 Catalog No: AG005CZV MDL No:
Product Description
Catalog Number:
AG005CZV
Chemical Name:
Carbamic acid, dimethyl-, (6-bromo-1,3-benzodioxol-5-yl)methyl ester
CAS Number:
7729-85-3
Molecular Formula:
C11H12BrNO4
Molecular Weight:
302.1213
IUPAC Name:
(6-bromo-1,3-benzodioxol-5-yl)methyl N,N-dimethylcarbamate
InChI:
InChI=1S/C11H12BrNO4/c1-13(2)11(14)15-5-7-3-9-10(4-8(7)12)17-6-16-9/h3-4H,5-6H2,1-2H3
InChI Key:
QAYOTNAVXKYAKD-UHFFFAOYSA-N
SMILES:
CN(C(=O)OCc1cc2OCOc2cc1Br)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.995g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.124g/mol
Monoisotopic Mass:
300.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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