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1198-67-0 | 1H-Pyrrole-2-carboxylicacid, 3,4,5-tribromo-, methyl ester
CAS No: 1198-67-0 Catalog No: AG000POP MDL No:
Product Description
Catalog Number:
AG000POP
Chemical Name:
1H-Pyrrole-2-carboxylicacid, 3,4,5-tribromo-, methyl ester
CAS Number:
1198-67-0
Molecular Formula:
C6H4Br3NO2
Molecular Weight:
361.8135
IUPAC Name:
methyl 3,4,5-tribromo-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C6H4Br3NO2/c1-12-6(11)4-2(7)3(8)5(9)10-4/h10H,1H3
InChI Key:
JKARVVJCKXGAHO-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]c(c(c1Br)Br)Br
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.777g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.815g/mol
Monoisotopic Mass:
358.779g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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