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123257-05-6 | 1H-Pyrrole-2-carboxylic acid, 1-(2-bromoethyl)-, methyl ester
CAS No: 123257-05-6 Catalog No: AG000K8L MDL No:
Product Description
Catalog Number:
AG000K8L
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-(2-bromoethyl)-, methyl ester
CAS Number:
123257-05-6
Molecular Formula:
C8H10BrNO2
Molecular Weight:
232.0745
IUPAC Name:
methyl 1-(2-bromoethyl)pyrrole-2-carboxylate
InChI:
InChI=1S/C8H10BrNO2/c1-12-8(11)7-3-2-5-10(7)6-4-9/h2-3,5H,4,6H2,1H3
InChI Key:
OFUISBCPLZKQTD-UHFFFAOYSA-N
SMILES:
BrCCn1cccc1C(=O)OC
Properties
Complexity:
163
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:
0
Isotope Atom Count:
0
Molecular Weight:
232.077g/mol
Monoisotopic Mass:
230.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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