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27545-73-9 | 2-Propenenitrile, 3-amino-3-(3-chlorophenyl)-
CAS No: 27545-73-9 Catalog No: AG002U1L MDL No:
Product Description
Catalog Number:
AG002U1L
Chemical Name:
2-Propenenitrile, 3-amino-3-(3-chlorophenyl)-
CAS Number:
27545-73-9
Molecular Formula:
C9H7ClN2
Molecular Weight:
178.6183
IUPAC Name:
3-amino-3-(3-chlorophenyl)prop-2-enenitrile
InChI:
InChI=1S/C9H7ClN2/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-4,6H,12H2
InChI Key:
KSNZPMRGWZIEJU-UHFFFAOYSA-N
SMILES:
N#CC=C(c1cccc(c1)Cl)N
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.619g/mol
Monoisotopic Mass:
178.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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