1H-Pyrrole-2-carboxylic acid, 4-bromo-, methyl ester


Chemical Name: 1H-Pyrrole-2-carboxylic acid, 4-bromo-, methyl ester
CAS Number: 934-05-4
Product Number: AG003RUN(AGN-PC-0KKPN3)
Synonyms:
MDL No:
Molecular Formula: C6H6BrNO2
Molecular Weight: 204.0213

Identification/Properties


Properties
MP:
100-101°C
BP:
290.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
204.023g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
202.958g/mol
Monoisotopic Mass:
202.958g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
140
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


PNMR/METHYL_4-BROMO-1H-PYRROLE-2-CARBOXYLATE-934-05-4-hnmr.pdf

Other Analytical Data


POTHER/METHYL_4-BROMO-1H-PYRROLE-2-CARBOXYLATE-934-05-4-hplc.pdf

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