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1256038-40-0 | Cyclopropanecarboxylic acid, 1-(5-bromo-3-pyridinyl)-
CAS No: 1256038-40-0 Catalog No: AG000NXO MDL No:MFCD18249881
Product Description
Catalog Number:
AG000NXO
Chemical Name:
Cyclopropanecarboxylic acid, 1-(5-bromo-3-pyridinyl)-
CAS Number:
1256038-40-0
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD18249881
IUPAC Name:
1-(5-bromopyridin-3-yl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C9H8BrNO2/c10-7-3-6(4-11-5-7)9(1-2-9)8(12)13/h3-5H,1-2H2,(H,12,13)
InChI Key:
IWOCHOGYZNRHGW-UHFFFAOYSA-N
SMILES:
Brc1cncc(c1)C1(CC1)C(=O)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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