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90084-37-0 | 3-BROMOPROPANEBORONIC ACID (1S,2S,3R,5S)-(+)-2,3-PINANEDIOL ESTER
CAS No: 90084-37-0 Catalog No: AG00GY18 MDL No:
Product Description
Catalog Number:
AG00GY18
Chemical Name:
3-BROMOPROPANEBORONIC ACID (1S,2S,3R,5S)-(+)-2,3-PINANEDIOL ESTER
CAS Number:
90084-37-0
IUPAC Name:
(1S,2S,6R,8S)-4-(3-bromopropyl)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
InChI:
InChI=1S/C13H22BBrO2/c1-12(2)9-7-10(12)13(3)11(8-9)16-14(17-13)5-4-6-15/h9-11H,4-8H2,1-3H3/t9-,10-,11+,13-/m0/s1
InChI Key:
IFWLNKNUIWTYGB-KQXIARHKSA-N
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
300.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.031g/mol
Monoisotopic Mass:
300.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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