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881674-39-1 | 1H-Pyrrole-3-carboxylic acid, 5-bromo-2-methyl-, ethyl ester
CAS No: 881674-39-1 Catalog No: AG01FLXJ MDL No:
Product Description
Catalog Number:
AG01FLXJ
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 5-bromo-2-methyl-, ethyl ester
CAS Number:
881674-39-1
IUPAC Name:
ethyl 5-bromo-2-methyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C8H10BrNO2/c1-3-12-8(11)6-4-7(9)10-5(6)2/h4,10H,3H2,1-2H3
InChI Key:
IQHQDQXZTNWFON-UHFFFAOYSA-N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.989g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.077g/mol
Monoisotopic Mass:
230.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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