methyl 3-bromo-1H-pyrrole-2-carboxylate


Chemical Name: methyl 3-bromo-1H-pyrrole-2-carboxylate
CAS Number: 941714-57-4
Product Number: AG003RRN(AGN-PC-0729D3)
Synonyms:
MDL No: MFCD23106341
Molecular Formula: C6H6BrNO2
Molecular Weight: 204.0213

Identification/Properties


Properties
BP:
286.2±20.0°C/760mmHg
Storage:
2-8℃;
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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