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Home > Nitro Compounds > 61921-33-3
61921-33-3 | (E);-3-(4-Nitrophenyl);acryloyl chloride
CAS No: 61921-33-3 Catalog No: AG003BN1 MDL No:MFCD00082549
Product Description
Catalog Number:
AG003BN1
Chemical Name:
(E);-3-(4-Nitrophenyl);acryloyl chloride
CAS Number:
61921-33-3
Molecular Formula:
C9H6ClNO3
Molecular Weight:
211.6018
MDL Number:
MFCD00082549
IUPAC Name:
(E)-3-(4-nitrophenyl)prop-2-enoyl chloride
InChI:
InChI=1S/C9H6ClNO3/c10-9(12)6-3-7-1-4-8(5-2-7)11(13)14/h1-6H/b6-3+
InChI Key:
RUPXNPWALFDXJD-ZZXKWVIFSA-N
SMILES:
ClC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
211.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.601g/mol
Monoisotopic Mass:
211.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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