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100516-95-8 | 2-Propen-1-amine, 2-chloro-, hydrochloride (9CI)
CAS No: 100516-95-8 Catalog No: AG00028H MDL No:MFCD19686253
Product Description
Catalog Number:
AG00028H
Chemical Name:
2-Propen-1-amine, 2-chloro-, hydrochloride (9CI)
CAS Number:
100516-95-8
Molecular Formula:
C3H7Cl2N
Molecular Weight:
128.0004
MDL Number:
MFCD19686253
IUPAC Name:
2-chloroprop-2-en-1-amine;hydrochloride
InChI:
InChI=1S/C3H6ClN.ClH/c1-3(4)2-5;/h1-2,5H2;1H
InChI Key:
JYOQGOHJIWTLRJ-UHFFFAOYSA-N
SMILES:
NCC(=C)Cl.Cl
Properties
Complexity:
42.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.996g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
127.996g/mol
Monoisotopic Mass:
126.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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