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304902-95-2 | 4-Pyrimidinecarboxylic acid, 5-bromo-2-cyclopropyl-
CAS No: 304902-95-2 Catalog No: AG0030C1 MDL No:MFCD11870587
Product Description
Catalog Number:
AG0030C1
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-bromo-2-cyclopropyl-
CAS Number:
304902-95-2
Molecular Formula:
C8H7BrN2O2
Molecular Weight:
243.0574
MDL Number:
MFCD11870587
IUPAC Name:
5-bromo-2-cyclopropylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C8H7BrN2O2/c9-5-3-10-7(4-1-2-4)11-6(5)8(12)13/h3-4H,1-2H2,(H,12,13)
InChI Key:
OZBCWWVNZKSSDG-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(ncc1Br)C1CC1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.06g/mol
Monoisotopic Mass:
241.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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