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100702-84-9 | 2-Butenoic acid, 4-amino-2-(chloromethyl)-, (2Z)-
CAS No: 100702-84-9 Catalog No: AG0002NW MDL No:
Product Description
Catalog Number:
AG0002NW
Chemical Name:
2-Butenoic acid, 4-amino-2-(chloromethyl)-, (2Z)-
CAS Number:
100702-84-9
Molecular Formula:
C5H8ClNO2
Molecular Weight:
149.5755
IUPAC Name:
4-amino-2-(chloromethyl)but-2-enoic acid
InChI:
InChI=1S/C5H8ClNO2/c6-3-4(1-2-7)5(8)9/h1H,2-3,7H2,(H,8,9)
InChI Key:
VAUYYPSVXBBKLK-UHFFFAOYSA-N
SMILES:
NC/C=C(/C(=O)O)\CCl
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.024g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.574g/mol
Monoisotopic Mass:
149.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-2.8
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