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Home Halogens 4-bromo-5-formyl-1-methyl-1H-pyrrole-2-carboxylic acid

4-bromo-5-formyl-1-methyl-1H-pyrrole-2-carboxylic acid

CAS No.:
923163-70-6
Catalog Number:
AG01AJ3N
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
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Product Description
Catalog Number:
AG01AJ3N
Chemical Name:
4-bromo-5-formyl-1-methyl-1H-pyrrole-2-carboxylic acid
CAS Number:
923163-70-6
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD08497132
IUPAC Name:
4-bromo-5-formyl-1-methylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C7H6BrNO3/c1-9-5(7(11)12)2-4(8)6(9)3-10/h2-3H,1H3,(H,11,12)
InChI Key:
HGBXJHMKEDXJRY-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)cc(n1C)C(=O)O
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.953g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.033g/mol
Monoisotopic Mass:
230.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties