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825619-17-8 | Benzenemethanol, 2-amino-5-chloro-3-nitro-
CAS No: 825619-17-8 Catalog No: AG004YLR MDL No:
Product Description
Catalog Number:
AG004YLR
Chemical Name:
Benzenemethanol, 2-amino-5-chloro-3-nitro-
CAS Number:
825619-17-8
Molecular Formula:
C7H7ClN2O3
Molecular Weight:
202.5951
IUPAC Name:
(2-amino-5-chloro-3-nitrophenyl)methanol
InChI:
InChI=1S/C7H7ClN2O3/c8-5-1-4(3-11)7(9)6(2-5)10(12)13/h1-2,11H,3,9H2
InChI Key:
NKBTVFZOCDLABX-UHFFFAOYSA-N
SMILES:
OCc1cc(Cl)cc(c1N)[N+](=O)[O-]
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.594g/mol
Monoisotopic Mass:
202.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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