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Home > Nitro Compounds > 57543-84-7
57543-84-7 | 2-Phenyl-3-nitro-2H-1-benzopyran
CAS No: 57543-84-7 Catalog No: AG00F16V MDL No:MFCD00176029
Product Description
Catalog Number:
AG00F16V
Chemical Name:
2-Phenyl-3-nitro-2H-1-benzopyran
CAS Number:
57543-84-7
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
MDL Number:
MFCD00176029
IUPAC Name:
3-nitro-2-phenyl-2H-chromene
InChI:
InChI=1S/C15H11NO3/c17-16(18)13-10-12-8-4-5-9-14(12)19-15(13)11-6-2-1-3-7-11/h1-10,15H
InChI Key:
ULXCGRAUCRLSRG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=Cc2ccccc2OC1c1ccccc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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