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100123-29-3 | 3-Butyn-2-ol, 4-bromo-2-methyl-, 2-(4-nitrobenzoate)
CAS No: 100123-29-3 Catalog No: AG00010U MDL No:
Product Description
Catalog Number:
AG00010U
Chemical Name:
3-Butyn-2-ol, 4-bromo-2-methyl-, 2-(4-nitrobenzoate)
CAS Number:
100123-29-3
IUPAC Name:
(4-bromo-2-methylbut-3-yn-2-yl) 4-nitrobenzoate
InChI:
InChI=1S/C12H10BrNO4/c1-12(2,7-8-13)18-11(15)9-3-5-10(6-4-9)14(16)17/h3-6H,1-2H3
InChI Key:
JZCXNZAGQVUQKK-UHFFFAOYSA-N
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.979g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.119g/mol
Monoisotopic Mass:
310.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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