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74830-47-0 | 2-bromobicyclo[2.2.1]heptane-1-carboxylic acid
CAS No: 74830-47-0 Catalog No: AG005GW1 MDL No:
Product Description
Catalog Number:
AG005GW1
Chemical Name:
2-bromobicyclo[2.2.1]heptane-1-carboxylic acid
CAS Number:
74830-47-0
Molecular Formula:
C8H11BrO2
Molecular Weight:
219.0757
IUPAC Name:
2-bromobicyclo[2.2.1]heptane-1-carboxylic acid
InChI:
InChI=1S/C8H11BrO2/c9-6-3-5-1-2-8(6,4-5)7(10)11/h5-6H,1-4H2,(H,10,11)
InChI Key:
YOBWYLCYNUIVKF-UHFFFAOYSA-N
SMILES:
BrC1CC2CC1(CC2)C(=O)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.994g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.078g/mol
Monoisotopic Mass:
217.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Studies on 3-deoxy-D-manno-octulosonic acid 8-phosphate synthase using chorismate mutase inhibitors. | Bioorganic & medicinal chemistry letters 20011105 |
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