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1268444-68-3 | Cyclopropanecarboxylic acid, 1-(3-pyridinyl)-, hydrobromide (1:1)
CAS No: 1268444-68-3 Catalog No: AG000TC1 MDL No:MFCD22741772
Product Description
Catalog Number:
AG000TC1
Chemical Name:
Cyclopropanecarboxylic acid, 1-(3-pyridinyl)-, hydrobromide (1:1)
CAS Number:
1268444-68-3
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD22741772
IUPAC Name:
1-pyridin-3-ylcyclopropane-1-carboxylic acid;hydrobromide
InChI:
InChI=1S/C9H9NO2.BrH/c11-8(12)9(3-4-9)7-2-1-5-10-6-7;/h1-2,5-6H,3-4H2,(H,11,12);1H
InChI Key:
CYNPDLLORWTYIE-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC1)c1cccnc1.Br
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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