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1375064-50-8 | Benzoic acid, 3-chloro-4-(1-pyrrolidinyl)-, methyl ester
CAS No: 1375064-50-8 Catalog No: AG0013F8 MDL No:MFCD22205883
Product Description
Catalog Number:
AG0013F8
Chemical Name:
Benzoic acid, 3-chloro-4-(1-pyrrolidinyl)-, methyl ester
CAS Number:
1375064-50-8
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
MDL Number:
MFCD22205883
IUPAC Name:
methyl 3-chloro-4-pyrrolidin-1-ylbenzoate
InChI:
InChI=1S/C12H14ClNO2/c1-16-12(15)9-4-5-11(10(13)8-9)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
UZQJIFFWGPGZNG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Cl)N1CCCC1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.699g/mol
Monoisotopic Mass:
239.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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