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Home > Bromides > 1316122-22-1
1316122-22-1 | 4-Pyrimidinecarboxylic acid, 5-bromo-2-(1-methylethyl)-, methyl ester
CAS No: 1316122-22-1 Catalog No: AG000ZHT MDL No:MFCD21607117
Product Description
Catalog Number:
AG000ZHT
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-bromo-2-(1-methylethyl)-, methyl ester
CAS Number:
1316122-22-1
Molecular Formula:
C9H11BrN2O2
Molecular Weight:
259.0998
MDL Number:
MFCD21607117
IUPAC Name:
methyl 5-bromo-2-propan-2-ylpyrimidine-4-carboxylate
InChI:
InChI=1S/C9H11BrN2O2/c1-5(2)8-11-4-6(10)7(12-8)9(13)14-3/h4-5H,1-3H3
InChI Key:
AOJUZBBXYNRCNT-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(ncc1Br)C(C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.103g/mol
Monoisotopic Mass:
258g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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