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Home > Bromides > 1328893-17-9
1328893-17-9 | 1H-Pyrazole-3-carboxylic acid, 5-bromo-, methyl ester
CAS No: 1328893-17-9 Catalog No: AG0011BN MDL No:MFCD23701497
Product Description
Catalog Number:
AG0011BN
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-bromo-, methyl ester
CAS Number:
1328893-17-9
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
MDL Number:
MFCD23701497
IUPAC Name:
methyl 5-bromo-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C5H5BrN2O2/c1-10-5(9)3-2-4(6)8-7-3/h2H,1H3,(H,7,8)
InChI Key:
RLDJSZKPUPTTNO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc([nH]n1)Br
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.953g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.011g/mol
Monoisotopic Mass:
203.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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