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100606-80-2 | Propanimidic acid, 2-chloro-, ethyl ester
CAS No: 100606-80-2 Catalog No: AG0002HC MDL No:
Product Description
Catalog Number:
AG0002HC
Chemical Name:
Propanimidic acid, 2-chloro-, ethyl ester
CAS Number:
100606-80-2
Molecular Formula:
C5H10ClNO
Molecular Weight:
135.5920
IUPAC Name:
ethyl 2-chloropropanimidate
InChI:
InChI=1S/C5H10ClNO/c1-3-8-5(7)4(2)6/h4,7H,3H2,1-2H3
InChI Key:
LNWRAWGOCGDBPL-UHFFFAOYSA-N
SMILES:
CCOC(=N)C(Cl)C
Properties
Complexity:
84.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.045g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.591g/mol
Monoisotopic Mass:
135.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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