200,000+ products from a single source!
sales@angenechem.com
140663-10-1 | 2-Pentenoic acid, 5-bromo-4-(hydroxyimino)-, methyl ester, (2E)-
CAS No: 140663-10-1 Catalog No: AG001CNT MDL No:
Product Description
Catalog Number:
AG001CNT
Chemical Name:
2-Pentenoic acid, 5-bromo-4-(hydroxyimino)-, methyl ester, (2E)-
CAS Number:
140663-10-1
Molecular Formula:
C6H8BrNO3
Molecular Weight:
222.0366
IUPAC Name:
methyl 5-bromo-4-hydroxyiminopent-2-enoate
InChI:
InChI=1S/C6H8BrNO3/c1-11-6(9)3-2-5(4-7)8-10/h2-3,10H,4H2,1H3
InChI Key:
AAFQVIGNCMAYGW-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/C(=NO)CBr
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.969g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.038g/mol
Monoisotopic Mass:
220.969g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.