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21961-31-9 | Methyl 3-amino-5-chlorobenzoate
CAS No: 21961-31-9 Catalog No: AG003RR9 MDL No:MFCD11053764
Product Description
Catalog Number:
AG003RR9
Chemical Name:
Methyl 3-amino-5-chlorobenzoate
CAS Number:
21961-31-9
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD11053764
IUPAC Name:
methyl 3-amino-5-chlorobenzoate
InChI:
InChI=1S/C8H8ClNO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,10H2,1H3
InChI Key:
ORKTXZHKYFWCRB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)cc(c1)Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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